Publications
2020
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Ab initio relativistic treatment of the intercombination $a^3\Pi-X^1 \Sigma^+$ Cameron system of the CO molecule
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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 translation: 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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Hydrolysis of Hexacarbonyltechnetium(I) Cation: Formation and Structure of Technetium Carbonyl Hydride 99Tc3H(CO)14
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Generalized relativistic effective core potentials for superheavy elements
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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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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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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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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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Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program PackagearXiv e-prints (2020)
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A quantum chemical study of endometallofullerenes: Gd@ C 70, Gd@ C 82, Gd@ C 84, and Gd@ C 90
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Quantum-Chemical Study of Yb@ C 60, Yb@ B 2 C 58, and Gd@ B 3 C 57 Molecules
2019
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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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Which oxidation state of uranium and thorium as point defects in xenotime is favorable?arXiv e-prints (2019)
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Compound-tunable embedding potential method and its application to fersmite crystalarXiv e-prints (2019)
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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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Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF$_2$ and YbF$_3$arXiv e-prints (2019)
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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 -
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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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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Specific features of the cis labilization effect in the series of pentacarbonyltechnetium halidesRussian translation: Радиохимия, 59, 3, 210-215 (2017)
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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 translation: 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 translation: Журнал общей химии, 87, 10, 1757-1758 (2017)
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A quantum chemical study of the Fe@C60 endocomplexRussian translation: 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 translation: 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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Reactivity of higher technetium carbonyls in CO replacement: A quantum chemical analysisAffiliation:Saint Petersburg State University
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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 translation: 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 translation: Журнал общей химии, 86, 11, 1873-1877 (2016)
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Quantum-chemical study of ytterbium fluorides and of complex F2YbF2CeF2Russian translation: Журнал общей химии, 86, 6, 881-886 (2016)
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Quantum-chemical study of lutetium, ytterbium, and gadolinium phthalocyaninates PcLnClRussian translation: 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"ArXiv e-prints (2016)
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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 translation: 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 translation: Журнал общей химии, 85, 4, 540-546 (2015)
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The estimation of the optical activity of polyatomic molecules by DFT methodsRussian translation: Журнал общей химии, 85, 3, 514-515 (2015)
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Quantum-chemical study of barbaralone in singlet and triplet statesRussian translation: Журнал общей химии, 85, 3, 425-430 (2015)Affiliation:Saint Petersburg State University
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Quantum chemical study of ethynylfullerenesRussian translation: 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 translation: 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 translation: 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 translation: 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 -
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 translation: 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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DFT study of potential energy surfaces and conical intersection structures of Rhenium(I) tricarbonyl diimine complexesAffiliation:Saint Petersburg State University
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Reactivity of Tc(I) tetracarbonyl complexesRussian translation: Радиохимия, 56, 2, 134-138 (2014)Affiliation:Saint Petersburg State University
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Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid EstersAffiliation:Saint Petersburg State University
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Application of discrete-continuum solvation model in a quantum chemical study of technetium(I) pentacarbonyl bromide decarbonylationRussian translation: Журнал структурной химии, 55, 5, 862-867 (2014)Affiliation:Saint Petersburg State University
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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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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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Aluminosilicate-Phosphate Model of Polyphase Matrices for Immobilization of Sr-Cs-fractions of Nuclear Fuel Cycle HLW
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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 solidsArXiv e-prints (2013)
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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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Reaction of technetium hexacarbonyl cation with acetonitrile: Kinetics, product structure, DFT calculationsAffiliation:Saint Petersburg State University
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Excited-state potential surfaces of ruthenium nitrosyl complexes: conical intersections and the Jahn-Teller effectRussian translation: Известия РАН. Серия химическая, 61, 5, 968-973 (2012)Affiliation:Saint Petersburg State University
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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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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 translation: 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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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, Jülich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]ArXiv Physics e-prints (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)Russian translation: Оптика и спектроскопия, 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 methodArXiv Physics e-prints (1998)
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Comment on "Accurate relativistic effective potentials for the sixth-row main group elements" [J.Chem.Phys. 107, 9975 (1997)]ArXiv Physics e-prints (1998)
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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)Russian translation: Оптика и спектроскопия, 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)