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Publications
2025
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Ab initio coupled cluster study of chemical shifts of X-ray emission lines in solids: pilot applications to ytterbium halides
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Electronic structure study of YNbTiO$_6$and CaNb$_2$O$_6$with actinide impurities using compound-tunable embedding potential method
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On the rank-reduced relativistic coupled cluster method
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Iodine, tellurium, and xenon inside fullerene: modeling of endohedral structures
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Quantum chemical concept of oxidation states
2024
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On the issue of comparing the immobilization characteristics of matrix materials based on Nb--Ta--Ti-oxides of the types AB$_2$O$_6$ and AB$_2$O$_7$
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Quantum Chemical Study of the Electronic Structure of Ytterbium HalidesRussian version: Вестн. Моск. ун-та. Сер. 2. Химия, 65, 343-351 (2024)
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The tendency towards equalization of the $^{234}$U/$^{238}$U isotopic activity ratios in fractions of U(IV) and U(VI) during thermal annealing of metamict polycrase
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QED calculations of intra-$L$-shell singly excited states in Be-like ions
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Angular and energy distributions of positrons created in subcritical and supercritical slow collisions of heavy nuclei
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Quantum Electrodynamics Effects in Atoms and Molecules
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Calculation of the moscovium ground-state energy by quantum algorithms
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Orbital collapse and dual states of the $5g$ electrons in superheavy elements
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Ground-state potential and dipole moment of carbon monoxide: Contributions from electronic correlation, relativistic effects, QED, adiabatic correction, and nonadiabatic correction
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Convergence-acceleration approach to partial-wave expansion of two-electron self-energy contributions to the Lamb shift
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Positron Supercritical Resonances and Spontaneous Positron Creation in Slow Collisions of Heavy Nuclei
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Uncovering chemical homology of superheavy elements: a close look at astatine
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Optical cycling in charged complexes with Ra–N bonds
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Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory
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Radiative lifetime of the $A$ $^{2}\mathrm{{\Pi}}_{1/2}$ state in RaF with relevance to laser cooling
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Recent advancements in atomic many-body methods for high-precision studies of isotope shifts
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Compound-tunable embedding potential method to model local electronic excitations on $f$-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, ${\mathrm{YPO}}_{4}$
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Excitation of the $^{229}\mathrm{Th}$ nucleus by a hole in the inner electronic shells
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Isotope-shift factors with quantum electrodynamics effects for many-electron systems: A study of the nuclear charge radius of $^{26m}\mathrm{Al}$
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Axion-mediated electron-nucleus and electron-electron interactions in the barium monofluoride molecule
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Nuclear Charge Radii of Silicon Isotopes
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Reexamination of nuclear magnetic dipole and electric quadrupole moments of polonium isotopes
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Magnetic moments of thallium isotopes in the vicinity of magic N = 126
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Rotational and near-infrared spectra of PbF: Characterization of the coupled ${X}_{1}$ $^{2}\mathrm{{\Pi}}_{1/2}$ and ${X}_{2}$ $^{2}\mathrm{{\Pi}}_{3/2}$ states
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Electric-field-dependent $g$ factors of a YbOH molecule
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Electronic matrix elements for parity doubling in the YbOH molecule
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Opportunities for fundamental physics research with radioactive molecules
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1H,4H-1,4-diborabuckminsterfullerene with pyridine molecules and ytterbium endo-atom
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Two-photon electron capture by H-like uranium
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Effect of antiprotons on hydrogen-like ions in external magnetic fields
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Blackbody-radiation vibrational level shifts in the ground electronic state of ${\mathrm{N}}_{2}^{+}$
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Long-range interaction of hydrogen atoms at finite temperatures
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Impact of quantum interference in cascade radiation on the absorption profile
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Light one-electron molecular ions within the finite-basis-set method for the two-center Dirac equation
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Multiphoton quantum interference in precision spectroscopic experiments
2023
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Natural line profile asymmetry
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Thermal contribution to measured g-factors in alkali atoms
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Radiative corrections to the level width in the presence of magnetic field
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Combined two-loop self-energy corrections at finite and zero temperatures
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Light antiproton one-electron quasi-molecular ions within the relativistic A-DKB method
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Electronic structure study of YNbTiO$_6$ vs. CaNb$_2$O$_6$ with U, Pu and minor actinide substitutions using compound-tunable embedding potential method
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Direct calculation of transition matrix elements in relativistic coupled cluster theory
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LIBGRPP: A Library for the Evaluation of Molecular Integrals of the Generalized Relativistic Pseudopotential Operator over Gaussian Functions
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Numerical evaluation of systematics in the experiment for electron electric dipole moment measurement in ${\mathrm{HfF}}^{+}$
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Revisiting the $\mathcal{T},\mathcal{P}$-odd spin-rotational Hamiltonian of ${\mathrm{HfF}}^{+}$ for precise electron-electric-dipole-moment measurements
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Electronic State of Arsenic endo-Atom and Indices of Interatomic Bonds in [As@Ni12As20]3--/0, As20, Ni12As20, As@C60, and As@C70 Clusters
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Highly Hydroxylated Buckminsterfullerene Complexes with an Endohedral Iodide Anion
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Spin-tautomery of endohedral Y@C60 complex
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Relativistic Stark energies of hydrogenlike ions
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Spontaneous vacuum decay in low-energy collisions of heavy nuclei beyond the monopole approximation
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Ab Initio Reconstruction of Interatomic Potential for the Ground Electronic State of CO MoleculeRussian version: Журнал физической химии, 97, 10, 1441-1446 (2023)
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Релятивистские расчеты энергий низко возбужденных состояний 1sns, 1snp, 1snd и вероятностей однофотонных переходов 1snl -> 1sn'l' в гелиеподобном ионе урана
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Ab initio calculations of the $2{p}_{3/2}{\rightarrow}2s$ transition in He-, Li-, and Be-like uranium
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Ground state of superheavy elements with $120{\le}Z{\le}170$: Systematic study of the electron-correlation, Breit, and QED effects
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Орбитальный коллапс 5g-электронов в сверхтяжелых элементах 8-го периода
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Расчеты разности энергий связи многозарядных ионов Ho и Dy
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Possible experiment on the observation of the $\mathcal{P},\mathcal{T}$-odd Faraday effect in intracavity absorption spectroscopy: Statistics and systematic errors
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Nuclear magnetic quadrupole moment of $^{175}\mathrm{Lu}$ and parity-violating polarization degree of levels in $^{175}\mathrm{Lu}{\text{OH}}^{+}$
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Progress toward the $\mathcal{P},\mathcal{T}$-odd Faraday effect: Light absorption by atoms briefly interacting with a laser beam
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Deformation versus Sphericity in the Ground States of the Lightest Gold Isotopes
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Ab initio study of electronic states and radiative properties of the AcF molecule
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Updated Constraints on $\mathcal{T}$,$\mathcal{P}$-Violating Axionlike-Particle-Mediated Electron–Electron and Electron–Nucleus Interactions from HfF+ Experiment
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Using parity-nonconserving spin-spin coupling to measure the Tl nuclear anapole moment in a TlF molecular beam
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Refined theoretical values of field and mass isotope shifts in thallium to extract charge radii of Tl isotopes
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Opportunities for Fundamental Physics Research with Radioactive Molecules
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Theoretical molecular spectroscopy of actinide compounds: the ThO molecule
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Zwitterions Functionalized by Optical Cycling Centers: Toward Laser-Coolable Polyatomic Molecular Cations
2022
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Investigation of two-photon $2s{\rightarrow}1s$ decay in one-electron and one-muon ions
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Atomic-level-mixing contribution to the $\mathcal{P},\mathcal{T}$-odd Faraday effect as an enhancement factor in the search for $\mathcal{P},\mathcal{T}$-odd interactions in nature
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Radium-containing molecular cations amenable for laser cooling
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$\mathcal{P},\mathcal{T}$-odd energy shifts of the $^{173}\mathrm{YbOH}$ molecule
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Static electric dipole moment of the francium atom induced by axionlike particle exchange
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$\mathcal{T},\mathcal{P}$-odd effects in the ${\mathrm{LuOH}}^{+}$ cation
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Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements
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The a3Σ+ state of KCs revisited: hyperfine structure analysis and potential refinement
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Laser-coolable ${\mathrm{AcOH}}^{+}$ ion for $\mathcal{CP}$-violation searches
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Sensitivity of the YbOH molecule to $\mathcal{P}\mathcal{T}$-odd effects in an external electric field
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Hydroxylated buckminsterfullerene complexes with endohedral europium atom
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Quantum chemical modeling of electron‐deficient hollow Tl$_k$Pb$_{12–k}$ and Tl$_k$Bi$_{20–k}$ shells and related endohedral complexes (k= 1; 2)
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Compound-tunable embedding potential method: analysis of pseudopotentials for Yb in YbF2, YbF3, YbCl2 and YbCl3 crystals
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Refined nuclear magnetic dipole moment of rhenium: $^{185}\mathrm{Re}$ and $^{187}\mathrm{Re}$
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Effect of the neutron quadrupole distribution in the TaO+ cation
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Relativistic Fock-Space Coupled Cluster Method: Theory and Recent Applications
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Generalized relativistic small-core pseudopotentials accounting for quantum electrodynamic effects: Construction and pilot applications
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Accurate ab initio calculations of RaF electronic structure appeal to more laser-spectroscopical measurements
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Impact of ligand deformation on the P,T-violation effects in the YbOH molecule
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Rotating and vibrating symmetric-top molecule ${\mathrm{RaOCH}}_{3}$ in fundamental $\mathcal{P}, \mathcal{T}$-violation searches
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Alternative interpretation of relativistic time-reversal and the time arrow
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Thermal radiative corrections to hyperfine structure of light hydrogenlike systems
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Thermally Induced Stark Shifts of Highly Excited States of Hydrogen Atom
2021
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Resonant elastic scattering of polarized electrons on H-like ions
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QED calculation of two-electron one-photon transition probabilities in He-like ions
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Electron-loss-to-continuum cusp in collisions of U$^{89+}$ with N$_{2}$ and Xe
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Asymmetry in emission of photons with left- and right-hand circular polarizations in two-photon decay
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P,T-odd Faraday rotation in intracavity absorption spectroscopy with particle beam as a possible way to improve the sensitivity of the search for the time reflection noninvariant effects in nature
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$\mathcal{P},\mathcal{T}\text{-}\mathrm{odd}$ Faraday rotation in intracavity absorption spectroscopy with a molecular beam as a possible way to improve the sensitivity of the search for time-reflection-noninvariant effects in nature
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Photon-spin-dependent contribution to the P,T -odd Faraday rotation effect for atoms
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Ab initio study and assignment of electronic states in molecular RaCl
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Electronic structure of the ytterbium monohydroxide molecule to search for axionlike particles
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Axion-mediated electron–electron interaction in ytterbium monohydroxide molecule
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Compound-tunable embedding potential method and its application to calcium niobate crystal ${\mathrm{CaNb}}_{2}{\mathrm{O}}_{6}$ with point defects containing tantalum and uranium
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Ab initio relativistic treatment of the a3Π−X1Σ+, a′3Σ+−X1Σ+ and A1Π−X1Σ+ systems of the CO molecule
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Large Shape Staggering in Neutron-Deficient Bi Isotopes
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Fourier-transform spectroscopy and relativistic electronic structure calculation on the c3Σ+ state of KCs
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Electron affinity of oganesson
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Electric-field-dependent $g$ factor for the ground state of lead monofluoride, PbF
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Relativistic aspects of orbital and magnetic anisotropies in the chemical bonding and structure of lanthanide molecules
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Russian version: Журнал Общей Химии, 91, 2, 290-300 (2021)
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Quantum-Chemical Model of the Minimal Cluster in XenotimeRussian version: Журнал Общей Химии, 91, 3, 425-429 (2021)
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Effect of nuclear magnetization distribution within the Woods-Saxon model: Hyperfine splitting in neutral Tl
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The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: A theoretical study of Ba+, BaF, RaF, and E120F
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Relativistic Fock space coupled-cluster study of bismuth electronic structure to extract the Bi nuclear quadrupole moment
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Approaching meV level for transition energies in the radium monofluoride molecule RaF and radium cation Ra+ by including quantum-electrodynamics effects
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Rovibrational structure of the ytterbium monohydroxide molecule and the P,T-violation searches
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$\mathcal{P}, \mathcal{T}$-odd effects for the RaOH molecule in the excited vibrational state
2020
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Chiral Molecules as Sensitive Probes for Direct Detection of $\mathcal{P}$-Odd Cosmic Fields
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Parity-nonconserving interactions of electrons in chiral molecules with cosmic fields
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Spectroscopy of short-lived radioactive molecules
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Direct laser cooling of moleculesRussian version: Усп. физ. наук, 190, 3, 313-328 (2020)
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Compound-tunable embedding potential: Which oxidation state of uranium and thorium as point defects in xenotime is favorable?
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Search for CP-violating nuclear magnetic quadrupole moment using the LuOH+ cation
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Generalized relativistic effective core potentials for superheavy elements
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Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program Package
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Relativistic Fock Space Coupled Cluster Method for Many-Electron Systems: Non-Perturbative Account for Connected Triple Excitations
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Diagonal and off-diagonal hyperfine structure matrix elements in KCs within the relativistic Fock space coupled cluster theory
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Energy levels of radium monofluoride RaF in external electric and magnetic fields to search for $P$- and $T,P$-violation effects
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Calculation of the energy-level structure of the ${\mathrm{HfF}}^{+}$ cation to search for parity-nonconservation effects
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Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
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Photon-mediated charge exchange reactions between 39K atoms and 40Ca+ ions in a hybrid trap
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Three-Center Bonds in closo-Sb2Sn10 Clusters
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Modeling the Structure of Endohedral Eu@C60 and (Eu@C60)2 Metallofullerenes
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How to access QED at a supercritical Coulomb field
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Actinide and lanthanide molecules to search for strong CP-violation
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Hyperfine structure in thallium atom: Study of nuclear magnetization distribution effects
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Magnetic moment of $^{207}\mathrm{Pb}$ and the hyperfine splitting of $^{207}\mathrm{Pb}^{81+}$
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P, T-Violating and Magnetic Hyperfine Interactions in Atomic Thallium
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Nuclear magnetization distribution effect in molecules: Ra+ and RaF hyperfine structure
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Ab initio study of R-dependent behavior of the hyperfine structure parameters for the (1)1,3Σ+ states of LiRb and LiCs
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Nuclear Spin-Dependent Effects of Parity Nonconservation in Ortho-H2
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Finite-Field Calculations of Transition Properties by the Fock Space Relativistic Coupled Cluster Method: Transitions between Different Fock Space Sectors
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The branching ratio of intercombination A1Σ+∼b3Π→a3Σ+/X1Σ+ transitions in the RbCs molecule: Measurements and calculations
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A first principles study of the spin–orbit coupling effect in LiM (M = Na, K, Rb, Cs) molecules
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Quantum-Chemical Study of Yb@ C 60, Yb@ B 2 C 58, and Gd@ B 3 C 57 Molecules
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A quantum chemical study of endometallofullerenes: Gd@ C 70, Gd@ C 82, Gd@ C 84, and Gd@ C 90
2019
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On the Search for the Electric Dipole Moment of the Electron: P-, T-Odd Faraday Effect on a PbF Molecular Beam
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Systematic study of relativistic and chemical enhancements of $\mathcal{P},\mathcal{T}$-odd effects in polar diatomic radicals
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Towards the Search for Thallium Nuclear Schiff Moment in Polyatomic Molecules: Molecular Properties of Thallium Monocyanide (TlCN)
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Quantum-Chemical Modeling of the First Coordination Sphere of the Metal Cation in Monazite
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Structural Parameters and Electron Transfer in Ytterbium, Lutetium, and Cerium Compounds with Hydrocarbon Monocycles
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How to Observe the Vacuum Decay in Low-Energy Heavy-Ion Collisions
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Theoretical study of $^{173}\mathrm{YbOH}$ to search for the nuclear magnetic quadrupole moment
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Interference between the E1 and M1 Amplitudes of the Transition from the H State to C of a ThO Molecule
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Evaluation of the $\mathcal{P}, \mathcal{T}$-odd Faraday effect in Xe and Hg atoms
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The hyperfine puzzle of strong-field bound-state QED
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Optical Rotation Approach to Search for the Electric Dipole Moment of the Electron
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Many-body study of the $g$ factor in boronlike argon
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${\mathrm{HfF}}^{+}$ as a candidate to search for the nuclear weak quadrupole moment
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Fourier-transform spectroscopy, relativistic electronic structure calculation, and coupled-channel deperturbation analysis of the fully mixed $A^{1}{\mathrm{\Sigma}}_{u}^{+}$ and $b^{3}{\mathrm{\Pi}}_{u}$ states of ${\mathrm{Cs}}_{2}$
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Spectroscopy of Diatomic Molecules in an Adiabatic Approximation
2018
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Uranium as a possible criterion for the hydro-chemical alteration of betafite
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Nuclear Chemical Effects in the Paragenetic Mineral Association Based on PolycraseAffiliation:
Saint Petersburg State University
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On the feasibility of determining the 230Th activity in minerals without the addition of a Th radiotracerAffiliation:Saint Petersburg State University
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On the identification of Ti-Ta- Nb-oxides in “wiikites” from Karelia.Affiliation:Saint Petersburg State University
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$\mathcal{P}, \mathcal{T}$-odd Faraday rotation in heavy neutral atoms
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Considerations towards the possibility of the observation of parity nonconservation in highly charged ions in storage rings
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Adsorption of the astatine species on a gold surface: A relativistic density functional theory study
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Towards Ultracold Chiral Molecules
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Calculation of Chemical Shifts of X-Ray-Emission Spectra of Niobium in Niobium(V) Oxides Relative to MetalRussian version: Оптика и спектроскопия, 124, 4, 455-460 (2018)
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Global and local approaches to population analysis: Bonding patterns in superheavy element compounds
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Evaluation of $\mathit{CP}$ violation in ${\mathrm{HfF}}^{+}$
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Systematic effects in the ${\mathrm{HfF}}^{+}$-ion experiment to search for the electron electric dipole moment
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Hyperfine coupling of the iodine ${\boldsymbol{D}}{0}_{{\boldsymbol{u}}}^{+}$ and β 1 g ion-pair states
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The Iodine Molecule: Insights into Intra- and Intermolecular Perturbation in Diatomic Molecules
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A Quantum Chemical Study of C60Cl30, C60(OH)30 Molecules and Fe@C60(OH)30 EndocomplexRussian version: Журнал структурной химии, 59, 3, 530-535 (2018)
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Quantum Chemical Study of Niobium and Tantalum M4O10 Oxide Clusters and M4O10--AnionsRussian version: Журнал общей химии, 88, 4, 534-538 (2018)
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A Quantum Chemical Study of the Acidity of Acetylene and 1,2-Dihydrobuckminsterfullerene DerivativesRussian version: Журнал структурной химии, 59, 1, 51-53 (2018)Affiliation:Saint Petersburg State University
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Chemical Shift of the K$\alpha$1 and K$\alpha$2 Lines of the X-ray Emission Spectrum of Yb(II)/Yb(III) Fluorides: a Quantum-Chemical InvestigationRussian version: Оптика и Спектроскопия, 124, 4, 446-450 (2018)
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Chemical shifts of Kα1 and Kα2 lines in X-ray emission spectra of Yb(II)/Yb(III) fluorides: A quantum chemical study
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Nuclear spin-independent effects of parity nonconservation in molecule of hydrogen
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Enhanced nuclear-spin-dependent parity-violation effects using the $^{199}\mathrm{HgH}$ molecule
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The nuclear magnetic moment of 208Bi and its relevance for a test of bound-state strong-field QED
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New Nuclear Magnetic Moment of $^{209}\mathrm{Bi}$: Resolving the Bismuth Hyperfine Puzzle
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Applications of the Kharkov potential in the theory of nuclear forces and nuclear reactions
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Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method
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Padé extrapolated effective Hamiltonians in the Fock space relativistic coupled cluster method
pdf file, for local use2017
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Non- identical thermochemical behavior of 234U-and 238U- isotopes in metamict britholiteAffiliation:Saint Petersburg State University
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Effects of parity nonconservation in a molecule of oxygen
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$\mathcal{P},\mathcal{T}$-odd Faraday effect in intracavity absorption spectroscopy
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Laser-coolable polyatomic molecules with heavy nuclei
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Calculations of Chemical Shifts of X-ray Emission Spectra and Effective States of Nb Atom in the Niobates
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Valence Electronic Structure of CaNb2O6 Crystal with Embedding Potential Method
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Generalized relativistic effective core potentials for lanthanides
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Projection population analysis for molecules with heavy and superheavy atoms
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Zeeman interaction in the $^{3}\mathrm{\Delta}_{1}$ state of ${\mathbf{HfF}}^{+}$ to search for the electron electric dipole moment
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Laser controlled charge-transfer reaction at low temperatures
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Rabi frequency of the $H^{3}\mathrm{\Delta}_{1}$ to $C^{1}\mathrm{\Pi}$ transition in ThO: Influence of interaction with electric and magnetic fields
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Pendular trapping conditions for ultracold polar molecules enforced by external electric fields
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Universality and chaoticity in ultracold K+KRb chemical reactions
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Simulation of metal ion coordination sphere in crystals with fluorite structureRussian version: Журнал общей химии, 87, 11, 1928-1931 (2017)
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Valence of an atom and bond indices in the relativistic theory of electronic structure of chemical compoundsRussian version: Журнал общей химии, 87, 10, 1757-1758 (2017)
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A quantum chemical study of the Fe@C60 endocomplexRussian version: Журнал структурной химии, 58, 3, 475-479 (2017)
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A quantum chemical study of gallium(III) ($\mu$-oxo)bis[phthalocyaninate] and gallium(III) ($\mu$-oxo)bis[perfluorophthalocyaninate] moleculesRussian version: Журнал структурной химии, 58, 3, 469-474 (2017)
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Chemical shifts of X-ray emission spectra and effective states of ytterbium in fluorides: embedded cluster modeling of YbF2 and YbF3 crystals
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Communication: Theoretical study of HfF+ cation to search for the T,P-odd interactions
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Enhanced effect of $CP$-violating nuclear magnetic quadrupole moment in a ${\mathrm{HfF}}^{+}$ molecule
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Scalar-pseudoscalar interaction in the francium atom
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Approximate relativistic coupled-cluster calculations on heavy alkali-metal diatomics: Application to the spin-orbit-coupled ${A}^{1}{\mathrm{\Sigma}}^{+}$ and ${b}^{3}\mathrm{\Pi}$ states of RbCs and ${\mathrm{Cs}}_{2}$
2016
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Redox states of uranium in samples of microlite and monaziteAffiliation:Saint Petersburg State University
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Polyatomic Candidates for Cooling of Molecules with Lasers from Simple Theoretical Concepts
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Generalized relativistic effective core potentials for actinides
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Near-resonant rovibronic Raman scattering from 0g+ (bb) valence state via the D0u+ ion-pair state in iodine molecule
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Photoassociative production of ultracold heteronuclear ${\mathrm{YbLi}}^{*}$ molecules
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Computational study of structure, electronic, and microscopic charge transport properties of small conjugated diketopyrrolopyrrole-thiophene molecules
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Quantum chemical calculation of spectroscopic and photoelectronic characteristics of [n]staffanesRussian version: Журнал общей химии, 86, 12, 2006-2012 (2016)Affiliation:Saint Petersburg State University
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Quantum-chemical study of lutetium and ytterbium bis- and tetrakis(phthalocyaninates)Russian version: Журнал общей химии, 86, 11, 1873-1877 (2016)
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Quantum-chemical study of ytterbium fluorides and of complex F2YbF2CeF2Russian version: Журнал общей химии, 86, 6, 881-886 (2016)
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Quantum-chemical study of lutetium, ytterbium, and gadolinium phthalocyaninates PcLnClRussian version: Журнал общей химии, 86, 5, 833-839 (2016)
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Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
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LCAO-based theoretical study of PbTiO3 crystal to search for parity and time reversal violating interaction in solids
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Reply to the Comment on "Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of $H^3\Delta_1$ in ThO"
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Chemical bonding and effective atomic states of actinides in higher oxide molecules
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First Principle Based Modeling and Interpretation of Chemical Experiments on Superheavy Element Identification
2015
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The Geoceramics Based on Apatite ORE Tailings as Matrices for Immobilization of Sr-Cs-fractions of HLWAffiliation:Saint Petersburg State University
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A polyphase geoceramic matrix for joint immobilization of the strontium-cesium and rare earth fractions of high-level wasteAffiliation:Saint Petersburg State University
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A comparative study of molecular hydroxides of element 113 (I) and its possible analogs: Ab initio electronic structure calculations
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Chemical Pseudo-Homologues of Superheavy Element 113
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Emergence of Chaotic Scattering in Ultracold Er and Dy
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Ultracold Dipolar Molecules Composed of Strongly Magnetic Atoms
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Photodissociation spectroscopy of the dysprosium monochloride molecular ion
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ac Stark effect in ThO ${H}^{3}{\mathrm{\Delta}}_{1}$ for the electron electric-dipole-moment search
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Ultracold chemistry with alkali-metal--rare-earth molecules
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Magnetic field dependent interactions in an ultracold Li–Yb( 3 P 2 ) mixture
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Magnetic control of ultra-cold 6 Li and 174 Yb( 3 P 2 ) atom mixtures with Feshbach resonances
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Quantum chemical study Ca@C60 and Sc+@C60 endo complexes in the gas phase and pyridineRussian version: Журнал общей химии, 85, 4, 648-653 (2015)
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Quantum chemical study of structure of ionic complexes of I and II groups metals with xenon or kryptonRussian version: Журнал общей химии, 85, 4, 540-546 (2015)
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The estimation of the optical activity of polyatomic molecules by DFT methodsRussian version: Журнал общей химии, 85, 3, 514-515 (2015)
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Quantum-chemical study of barbaralone in singlet and triplet statesRussian version: Журнал общей химии, 85, 3, 425-430 (2015)Affiliation:Saint Petersburg State University
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Quantum chemical study of ethynylfullerenesRussian version: Журнал органической химии, 51, 2, 283-286 (2015)Affiliation:Saint Petersburg State University
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A quantum chemical study of diethynyl derivatives of dodecahedrane and buckminsterfullerene in vacuum and in tetrahydrofuranRussian version: Оптика и спектроскопия, 118, 1, 50-53 (2015)Affiliation:Saint Petersburg State University
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Quantum chemical study of pentafluorophenylxenonium pentafluorobenzoate in the gas phase and acetonitrile solutionRussian version: Журнал общей химии, 85, 12, 2088-2089 (2015)
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Quantum-chemical estimation of the relaxation of equilibrium structure upon radiochemical reactions of iodine-containing molecules and ionsRussian version: Журнал общей химии, 85, 10, 1630-1636 (2015)
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Further investigation of $g$ factors for the lead monofluoride ground state
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TaN molecule as a candidate for the search for a T,P-violating nuclear magnetic quadrupole moment
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Theoretical study of ${\mathrm{ThF}}^{+}$ in the search for $T,P$-violation effects: Effective state of a Th atom in ${\mathrm{ThF}}^{+}$ and ThO compounds
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Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H3Δ1 in ThO
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Laser synthesis of ultracold alkali metal dimers: optimization and controlAffiliation:
Moscow State University
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Plutonium and transplutonium element trioxides: molecular structures, chemical bonding, and isomers
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Superheavy Element Chemistry by Relativistic Density Functional Theory Electronic Structure Modeling
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Comparative nonempirical analysis of emission properties of the Ar–MeI n glow discharge (Me = Ga, Zn, Sn, In, Bi, Tl)Affiliation:Moscow State University
2014
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Simulation of chemical properties of superheavy elements from the island of stabilityRussian version: Известия Академии наук. Серия химическая, 63, 8, 1647-1655 (2014)
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First principles based modeling of the adsorption of atoms of element 120 on a gold surface
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Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity--violation effects
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Zeeman interaction in ThO $H^{3}{\Delta}_{1}$ for the electron electric-dipole-moment search
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Action spectroscopy of SrCl+ using an integrated ion trap time-of-flight mass spectrometer
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Quantum chaos in ultracold collisions of gas-phase erbium atoms
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Ultracold Heteronuclear Mixture of Ground and Excited State Atoms
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Spin populations and free valences in excited molecules and in radicalsRussian version: Оптика и спектроскопия, 117, 4, 534-543 (2014)Affiliation:Saint Petersburg State University
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Quantum chemical study of the products and hypothetical intermediates in the dehydrobromination of bromobullvalene in furanRussian version: Журнал органической химии, 50, 7, 1021-1023 (2014)Affiliation:Saint Petersburg State University
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Quantum-chemical study of tautomers of reduced forms of anthraquinoneRussian version: Журнал общей химии, 84, 5, 750-754 (2014)Affiliation:Saint Petersburg State University
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Quantum chemical study of $\alpha$-diazocarbonyl bullvalene derivatives and related heterocyclic compoundsRussian version: Журнал органической химии, 50, 3, 450-452 (2014)Affiliation:Saint Petersburg State University
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A quantum-chemical study of intermediates of the 1O2 photogeneration sensitized by buckminsterfullerene and accompanying photochemical reactionsRussian version: Оптика и спектроскопия, 116, 2, 190-196 (2014)Affiliation:Saint Petersburg State University
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A quantum chemical study of the structure of dodecasilsequioxane H12Si12O18Russian version: Журнал структурной химии, 55, 1, 29-35 (2014)Affiliation:Saint Petersburg State University
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$CP$-Violating Effect of the Th Nuclear Magnetic Quadrupole Moment: Accurate Many-Body Study of ThO
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Search for parity- and time-and-parity--violation effects in lead monofluoride (PbF): Ab initio molecular study
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Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores
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Structures and stability of AnO4 isomers, An = Pu, Am, and Cm: a relativistic density functional study
2013
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The thermochemistry of uranium and cerium in native britholite
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Estimating the adsorption energy of element 113 on a gold surface
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A comparative study of the chemical properties of element 120 and its homologs
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Calculation of the parity- and time-reversal-violating interaction in ${}^{225}$RaO
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Method for evaluating chemical shifts of x-ray emission lines in molecules and solids
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Generalized relativistic effective core potential calculations of the adiabatic potential curve and spectroscopic constants for the ground electronic state of the Ca2 molecule
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Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride
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Enhanced effects of temporal variation of the fundamental constants in ${}^{2}{\Pi}_{1/2}$-term diatomic molecules: ${}^{207}$Pb${}^{19}$F
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External field control of spin-dependent rotational decoherence of ultracold polar molecules
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Communication: Theoretical study of ThO for the electron electric dipole moment search
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The molecular frame electric dipole moment and hyperfine interactions in hafnium fluoride, HfF
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Optical spectroscopy of tungsten carbide for uncertainty analysis in electron electric-dipole-moment search
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Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120
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Theoretical study of the parity and time reversal violating interaction in solids
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Relativistic density functional theory modeling of plutonium and americium higher oxide molecules
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Molecular anions of uranium fluorides and oxides: First principle based relativistic calculations
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Interaction of copernicium with gold: Assessment of applicability of simple density functional theories
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On the existence of oxide molecules of plutonium in highest oxidation states
2012
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Anisotropy-Induced Feshbach Resonances in a Quantum Dipolar Gas of Highly Magnetic Atoms
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Anisotropic Polarizability of Ultracold Polar $^{40}\mathrm{K}^{87}\mathrm{Rb}$ Molecules
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Broadband velocity modulation spectroscopy of HfF+: Towards a measurement of the electron electric dipole moment
2011
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The effect of the iterative triple and quadruple cluster amplitudes on the adiabatic potential curve in the coupled cluster calculations of the ground electronic state of the Yb dimer
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Hyperfine and Zeeman interactions of the $a(1)[{}^{3}{\Sigma}_{1}^{+}]$ state of PbO
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Universalities in ultracold reactions of alkali-metal polar molecules
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Measurement of a Large Chemical Reaction Rate between Ultracold Closed-Shell $^{40}\mathrm{Ca}$ Atoms and Open-Shell $^{174}\mathrm{Yb}^{+}$ Ions Held in a Hybrid Atom-Ion Trap
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Ab initio properties of Li-group-II molecules for ultracold matter studies
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Anisotropy in the interaction of ultracold dysprosium
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Precision spectroscopy of the $^{207}\mathrm{Pb}$$^{19}\mathrm{F}$ molecule: Implications for measurement of $P$-odd and $T$-odd effects
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Molecular-ion trap-depletion spectroscopy of BaCl${}^{+}$
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Enhancement of the electron electric dipole moment in Eu${}^{2+}$
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Ab initio study of element 113–gold interactions
2010
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Shape-consistent Relativistic Effective Potentials of Small Atomic Cores
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Precision calculation of the low-lying excited states of the Rf atomRussian version: Радиохимия, 52, 4, 335-338 (2010)
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Progress toward the electron electric-dipole-moment search: Theoretical study of the PbF molecule
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Communications: Adsorption of element 112 on the gold surface: Many-body wave function versus density functional theory
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Two-component relativistic density functional theory modeling of the adsorption of element 114(eka-lead) on gold
2009
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Theoretical study of low-lying electronic terms and transition moments for $\mathrm{Hf}{\mathrm{F}}^{+}$ for the electron electric-dipole-moment search
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Ab initio study of Hg-Hg and E112-E112 van der Waals interactionsRussian version: Ядерная физика, 72, 3, 429-433 (2009)
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Electron electric dipole moment: Relativistic correlation calculations of the $P,T$-violation effect in the ${^{3}\Delta}_{3}$ state of ${\text{PtH}}^{+}$
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Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond ordersAffiliation:Saint Petersburg State University
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Ab initio calculation of the spectroscopic properties of TlF−Russian version: Оптика и спектроскопия, 106, 6, 876-878 (2009)
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Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-PbRussian version: Успехи химии, 78, 12, 1263-1272 (2009)
2008
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Electronic structure of crystalline uranium nitride: LCAO DFT calculations
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Symmetry decomposition of quantum chemical bond ordersAffiliation:Saint Petersburg State University
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On the search for time variation in the fine-structure constant: Ab initio calculation of HfF+Russian version: Письма в ЖЭТФ, 88, 9, 668-672 (2008)
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Calculation of $\sigma$-, $\pi$-, and $\delta$-components of quantum-chemical bond ordersAffiliation:Saint Petersburg State University
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Theoretical studies on the structures and properties of superheavy element compoundsRussian version: Успехи химии, 77, 3, 211-226 (2008)
2007
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Search for the nuclear Schiff moment in liquid xenon
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Theoretical study of $\mathrm{Hf}{\mathrm{F}}^{+}$ in search of the electron electric dipole moment
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Quantum-chemical study of donor-acceptor interactions in chelate dicarbonyl complexes of rhodium(I)Affiliation:Saint Petersburg State University
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Quantum chemical study of the bond orders in the ruthenium, diruthenium and dirhodium nitrosyl complexesAffiliation:Saint Petersburg State University
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Rhodium and ruthenium tetracarboxylate nitrosyl complexes: Electronic structure and metal-metal bondAffiliation:Saint Petersburg State University
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Quantum-chemical study of donor-acceptor interactions in rhodium(I) carbonyl carboxylate complexes with phosphine ligandsAffiliation:Saint Petersburg State University
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Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II)Russian version: Журнал структурной химии, 48, 1, 33-40 (2007)Affiliation:Saint Petersburg State University
2006
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Is E112 a relatively inert element? Benchmark relativistic correlation study of spectroscopic constants in E112H and its cation
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Generalized RECPs accounting for Breit effects: uranium, plutonium and superheavy elements 112,113,114.
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P,T-parity violation effects in polar heavy-atom molecules
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Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)
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Relativistic effective core potential calculations of Hg and eka-Hg (E112) interactions with gold: Spin-orbit density functional theory modeling of Hg–Aun and E112–Aun systems
2005
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In Search of the Electron Electric Dipole Moment: Relativistic Correlation Calculations of the $P,T$-Violating Effect in the Ground State of ${\mathrm{HI}}^{+}$
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Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds
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Configuration-interaction calculation of hyperfine and $P,T$-odd constants on $^{207}\mathrm{Pb}\mathrm{O}$ excited states for electron electric-dipole-moment experiments
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Two-step method for precise calculation of core properties in molecules
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Benchmark ab initio study of heavy- and superheavy-element systems.PNPI Progress Report (2005)
2004
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In search of the electron dipole moment: Ab initio calculations on $^{207}\mathrm{PbO}$ excited states
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Ab initio calculations of the electronic structure of the lead atom and its compounds with the chemical accuracy
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Accounting for the Breit interaction in relativistic effective core potential calculations of actinides
2003
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Accuracy and efficiency of modern methods for electronic structure calculation on heavy-and superheavy-element compounds
2002
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GRECP/5e-MRD-CI calculation of the electronic structure of PbH
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GRECP/MRD-CI calculations on the Hg atom and HgH molecule
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Calculation of $\mathit{P},\mathit{T}$-Odd Effects in $^{205}T\mathrm{lF}$ Including Electron Correlation
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Generalized Relativistic Effective Potential and restoration of the electronic structure in heavy atom cores and molecules
2001
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Study of the weak interactions by means of atomic and molecular spectroscopy.
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Generalized relativistic effective core potential and relativistic coupled cluster calculation of the spectroscopic constants for the HgH molecule and its cation
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Convergence improvement for coupled-cluster calculations
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Electronic structure and fluorescence spectrum of the HeO+ cation
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GRECP/MRD-CI calculations of spin-orbit splitting in ground state of Tl and of spectroscopic properties of TlH
2000
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Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb 2+
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Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method
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Comment on "Accurate relativistic effective potentials for the sixth-row main group elements" [J.Chem.Phys. 107, 9975 (1997)]
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Quantum-chemical study of possibility of generating laser radiation on the excimer cations HeNa+, NeNa+, and HeO+PhD thesis, SPBU (2000)
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Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, J\"ulich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]
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Generalized Relativistic Effective Core Potential Method: Theory and calculationsRus.J.Phys.Chem., 74, Suppl.2, S376-S387 (2000)
1999
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Theoretical study of low-lying electronic states and emission spectra of the excimer ions NaHe+ and NaNe+
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Electronic Structure of the Excimer Emitting Systems of the Type Inert Gas-Alkali Metal: The HeNa$^+$ CationOptics and Spectroscopy, 86, 377-382 (1999)
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Generalized relativistic effective core potential: Theoretical grounds
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Multiconfigurational calculations of electronic structure Ag2, Ag2$^+$ with effective core potential. II. Spectroscopic constants and low-lying electronic statesOptics and Spectroscopy, 87, 6, 963-973 (1999)
1998
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Electric dipole moment of the electron in the YbF molecule
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All-electron Dirac-Coulomb and RECP calculations of excitation energies for mercury atom with combined CI/MBPT2 method
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Multiconfigurational calculations of electronic structure Ag2, Ag2$^+$ with effective core potential. I. Atomic calculations and generation of effective core potential for AgOptics and Spectroscopy, 84, 3, 357-363 (1998)
1997
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Generalized relativistic effective core potential: Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn
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Enhancement of the electric dipole moment of the electron in the BaF molecule
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Electronic-structure multiconfiguration calculation of a small cluster embedded in a local-density approximation host
1996
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$\mathit{P},\mathit{T}$-Odd Spin-Rotational Hamiltonian for YbF Molecule
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A two-step method of calculation of the electronic structure of molecules with heavy atoms: Theoretical aspect
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Ab initio calculations of Ag2, Ag2+ with Effective Core Potential: Spectroscopic constants and low-lying electronic statesPreprint PNPI, 2095, 26 (1996)
1995
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Self-consistent relativistic effective core potentials for transition metal atoms: Cu, Ag, and Au
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Generalized relativistic effective core potential. I. Numerical calculations for atoms Hg through Bi
1994
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Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag
1993
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Variational principle for transition matrix
1992
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Matrix elements of the U(2n) generators in the spin-orbit basis
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Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interaction terms for HgF and PbF molecules
1991
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Effective core potential for pseudo-orbitals with nodes
1988
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Generalized Brillouin Theorem and Calculation of Transition Matrices and Energies for Atoms and MoleculesIn: Mnogochastichnie effecti v Atomah, Ed: U.Safronova, 90-109 (1988)
1987
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Calculation of the P- and T-odd spin-rotational Hamiltonian of the PbF molecule
1985
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Generalized Brillouin theorem and self-consistent approximation for transition density matrixVestnic LGU (Leningrad University, Leningrad), 18, 15-21 (1985)
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EDM of the PbF molecule induced by P,T-nonconcerving neutral currentPreprint LNPI, 1046, 18 (1985)