Публикации


2020

  • A. V. Oleynichenko, L. V. Skripnikov, A. Zaitsevskii, E. Eliav, V. M. Shabaev
    Diagonal and off-diagonal hyperfine structure matrix elements in KCs within the relativistic Fock space coupled cluster theory

  • R.F. Garcia Ruiz, R. Berger, J. Billowes, C.L. Binnersley, M.L. Bissell, A.A. Breier, A.J. Brinson, K. Chrysalidis, T.E. Cocolios, B.S. Cooper, K.T. Flanagan, T.F. Giesen, R.P. de Groote, S. Franchoo, F.P. Gustafsson, T.A. Isaev, A. Koszorus, G. Neyens, H.A. Perrett, C.M. Ricketts, S. Rothe, L. Schweikhard, A.R. Vernon, K.D.A. Wendt, F. Wienholtz, S.G. Wilkins, X.F. Yang
    Spectroscopy of short-lived radioactive molecules

  • Т.А. Исаев
    Прямое лазерное охлаждение молекул

  • Yu. Lomachuk, D. Maltsev, N.S. Mosyagin, L. Skripnikov, R.V. Bogdanov, A.V. Titov
    Compound-tunable embedding potential: Which oxidation state of uranium and thorium as point defects in xenotime is favorable?

  • A.E. Miroslavov, A.P. Shishkina, G.V. Sidorenko, V.V. Gurzhiy, D.A. Maltsev, E.V. Kurysheva
    Hydrolysis of Hexacarbonyltechnetium(I) Cation: Formation and Structure of Technetium Carbonyl Hydride 99Tc3H(CO)14

  • N.S. Mosyagin, A.V. Zaitsevskii, A.V. Titov
    Generalized relativistic effective core potentials for superheavy elements

  • A.V. Oleynichenko, A. Zaitsevskii, L.V. Skripnikov, E. Eliav
    Relativistic Fock Space Coupled Cluster Method for Many-Electron Systems: Non-Perturbative Account for Connected Triple Excitations

  • A.V. Oleynichenko, L.V. Skripnikov, A. Zaitsevskii, E. Eliav, V.M. Shabaev
    Diagonal and off-diagonal hyperfine structure matrix elements in KCs within the relativistic Fock space coupled cluster theory

  • S.V. Kozlov, E.A. Bormotova, A.A. Medvedev, E.A. Pazyuk, A.V. Stolyarov, A. Zaitsevskii
    A first principles study of the spin–orbit coupling effect in LiM (M = Na, K, Rb, Cs) molecules

  • A.V. Oleynichenko, A. Zaitsevskii, E. Eliav
    Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program Package

2019

  • K. Gaul, S. Marquardt, T. Isaev, R. Berger
    Systematic study of relativistic and chemical enhancements of $\mathcal{P},\mathcal{T}$-odd effects in polar diatomic radicals

  • A.V. Kudrin, A. Zaitsevskii, T.A. Isaev, D.E. Maison, L.V. Skripnikov
    Towards the Search for Thallium Nuclear Schiff Moment in Polyatomic Molecules: Molecular Properties of Thallium Monocyanide (TlCN)

  • Yu.V. Lomachuk, D.A. Maltsev, N.S. Mosyagin, L.V. Skripnikov, R.V. Bogdanov, A.V. Titov
    Which oxidation state of uranium and thorium as point defects in xenotime is favorable?

  • D.A. Maltsev, Yu.V. Lomachuk, V.M. Shakhova, N.S. Mosyagin, L.V. Skripnikov, A.V. Titov
    Compound-tunable embedding potential method and its application to fersmite crystal

  • M.V. Makarova, S.G. Semenov, M.E. Bedrina, A.V. Titov
    Quantum-Chemical Modeling of the First Coordination Sphere of the Metal Cation in Monazite

  • S.G. Semenov, M.E. Bedrina, A.E. Buzin, A.V. Titov
    Structural Parameters and Electron Transfer in Ytterbium, Lutetium, and Cerium Compounds with Hydrocarbon Monocycles

  • V.M. Shakhova, D.A. Maltsev, Yu.V. Lomachuk, N.S. Mosyagin, L.V. Skripnikov, A.V. Titov
    Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF$_2$ and YbF$_3$

  • D.E. Maison, L.V. Skripnikov, V.V. Flambaum
    Theoretical study of $^{173}\mathrm{YbOH}$ to search for the nuclear magnetic quadrupole moment

  • A.N. Petrov, L.V. Skripnikov
    Interference between the E1 and M1 Amplitudes of the Transition from the H State to C of a ThO Molecule

  • D.V. Chubukov, L.V. Skripnikov, L.N. Labzowsky, V.N. Kutuzov, S.D. Chekhovskoi
    Evaluation of the $\mathcal{P}, \mathcal{T}$-odd Faraday effect in Xe and Hg atoms

  • W. Nörtershäuser, J. Ullmann, L.V. Skripnikov, Z. Andelkovic, C. Brandau, A. Dax, W. Geithner, C. Geppert, C. Gorges, M. Hammen, V. Hannen, S. Kaufmann, K. König, F. Kraus, B. Kresse, Y.A. Litvinov, M. Lochmann, B. Maass, J. Meisner, T. Murböck, A.F. Privalov, R. Sanchez, B. Scheibe, M. Schmidt, S. Schmidt, V.M. Shabaev, M. Steck, T. Stöhlker, R.C. Thompson, C. Trageser, M. Vogel, J. Vollbrecht, A.V. Volotka, C. Weinheimer
    The hyperfine puzzle of strong-field bound-state QED

  • D.V. Chubukov, L.V. Skripnikov, V.N. Kutuzov, S.D. Chekhovskoi, L.N. Labzowsky
    Optical Rotation Approach to Search for the Electric Dipole Moment of the Electron

  • D.E. Maison, L.V. Skripnikov, D.A. Glazov
    Many-body study of the $g$ factor in boronlike argon

  • L.V. Skripnikov, A.N. Petrov, A.V. Titov, V.V. Flambaum
    ${\mathrm{HfF}}^{+}$ as a candidate to search for the nuclear weak quadrupole moment

  • A. Znotins, A. Kruzins, M. Tamanis, R. Ferber, E.A. Pazyuk, A.V. Stolyarov, A. Zaitsevskii
    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 ${\mathrm{Cs}}_{2}$

  • E.A. Pazyuk, V.I. Pupyshev, A.V. Zaitsevskii, A.V. Stolyarov
    Spectroscopy of Diatomic Molecules in an Adiabatic Approximation

2018

2017

2016

2015

2014

  • Ю.А. Демидов, А.В. Зайцевский
    Моделирование химических свойств сверхтяжелых элементов 'острова стабильности'

  • Yu. Demidov, A. Zaitsevskii, R. Eichler
    First principles based modeling of the adsorption of atoms of element 120 on a gold surface

  • A.D. Kudashov, A.N. Petrov, L.V. Skripnikov, N.S. Mosyagin, T.A. Isaev, R. Berger, A.V. Titov
    Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity--violation effects

  • V.I. Baranovskii, D.A. Maltsev
    DFT study of potential energy surfaces and conical intersection structures of Rhenium(I) tricarbonyl diimine complexes
    Affiliation: Saint Petersburg State University

  • Г.В. Сидоренко, А.Е. Мирославов, Д.А. Мальцев, А.А. Лумпов, Ю.С. Полоцкий, М.Ю. Тюпина, Д.Н. Суглобов
    Реакционная способность тетракарбонильных комплексов Tc(I)
    Affiliation: Saint Petersburg State University

  • A.E. Miroslavov, Yu.S. Polotskii, V.V. Gurzhiy, A.Yu. Ivanov, A.A. Lumpov, M.Yu. Tyupina, G.V. Sidorenko, P.M. Tolstoy, D.A. Maltsev, D.N. Suglobov
    Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters
    Affiliation: Saint Petersburg State University

  • Д.А. Мальцев, В.И. Барановский
    Применение дискретно-континуальной модели растворителя в квантово-химическом исследовании декарбонилирования пентакарбонилбромида технеция
    Affiliation: Saint Petersburg State University

  • A.N. Petrov, L.V. Skripnikov, A.V. Titov, N.R. Hutzler, P.W. Hess, B.R. O'Leary, B. Spaun, D. DeMille, G. Gabrielse, J.M. Doyle
    Zeeman interaction in ThO $H^{3}{\Delta}_{1}$ for the electron electric-dipole-moment search

  • P. Puri, S.J. Schowalter, S. Kotochigova, A. Petrov, E.R. Hudson
    Action spectroscopy of SrCl+ using an integrated ion trap time-of-flight mass spectrometer

  • A. Frisch, M. Mark, K. Aikawa, F. Ferlaino, J.L. Bohn, C. Makrides, A. Petrov, S. Kotochigova
    Quantum chaos in ultracold collisions of gas-phase erbium atoms

  • A. Khramov, A. Hansen, W. Dowd, R.J. Roy, C. Makrides, A. Petrov, S. Kotochigova, S. Gupta
    Ultracold Heteronuclear Mixture of Ground and Excited State Atoms

  • С.Г. Семенов, М.Е. Бедрина, В.А. Клемешев, М.В. Макарова
    О спиновых заселенностях и свободных валентностях в возбужденных молекулах и радикалах
    Affiliation: Saint Petersburg State University

  • С.Г. Семенов, М.В. Макарова
    Квантово-химическое исследование продуктов и гипотетических интермедиатов дегидробромирования бромбульвалена в фуране
    Affiliation: Saint Petersburg State University

  • С.Г. Семенов, М.В. Макарова
    Квантовохимическое исследование таутомеров восстановленных форм антрахинона
    Affiliation: Saint Petersburg State University

  • С.Г. Семенов, М.В. Макарова
    Квантовохимическое исследование α-диазокарбонильных производных бульвалена и родственных гетероциклических соединений
    Affiliation: Saint Petersburg State University

  • С.Г. Семенов, М.Е. Бедрина
    Квантовохимическое исследование интермедиатов фотогенерации 1О2, сенсибилизированной бакминстерфуллереном, и сопутствующих фотохимических реакций
    Affiliation: Saint Petersburg State University

  • С.Г. Семенов, М.Е. Бедрина
    Квантово-химическое исследование структуры додекасилсесквиоксана H12Si12O18
    Affiliation: Saint Petersburg State University

  • L.V. Skripnikov, A.N. Petrov, A.V. Titov, V.V. Flambaum
    $CP$-Violating Effect of the Th Nuclear Magnetic Quadrupole Moment: Accurate Many-Body Study of ThO

  • L.V. Skripnikov, A.D. Kudashov, A.N. Petrov, A.V. Titov
    Search for parity- and time-and-parity--violation effects in lead monofluoride (PbF): Ab initio molecular study

  • A.V. Titov, Yu.V. Lomachuk, L.V. Skripnikov
    Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores

  • A. Zaitsevskii, W.H.E. Schwarz
    Structures and stability of AnO4 isomers, An = Pu, Am, and Cm: a relativistic density functional study

  • А.С. Минкин, А.В. Зайцевский, С.А. Круглов, Н.С. Марченков, А.В. Поляев
    Перспективы использования 225Ac в альфа-радиоиммунной терапии злокачественных новообразований

2013

2012

  • Ю.В. Ломачук, А.В. Титов
    Метод расчета химических сдвигов энергий переходов для внутренних атомных оболочек в молекулах и твердых телах

  • A.E. Miroslavov, G.V. Sidorenko, A.A. Lumpov, D.N. Suglobov, O.V. Sizova, D.A. Maltsev, V.V. Gurzhiy, Yu.S. Polotskii
    Reaction of technetium hexacarbonyl cation with acetonitrile: Kinetics, product structure, DFT calculations
    Affiliation: Saint Petersburg State University

  • В.И. Барановский, Д.А. Мальцев, О.В. Сизова
    Потенциальные поверхности возбужденных состояний нитрозильных комплексов рутения: конические пересечения и эффект Яна—Теллера
    Affiliation: Saint Petersburg State University

  • A. Petrov, E. Tiesinga, S. Kotochigova
    Anisotropy-Induced Feshbach Resonances in a Quantum Dipolar Gas of Highly Magnetic Atoms

  • B. Neyenhuis, B. Yan, S.A. Moses, J.P. Covey, A. Chotia, A. Petrov, S. Kotochigova, J. Ye, D.S. Jin
    Anisotropic Polarizability of Ultracold Polar $^{40}\mathrm{K}^{87}\mathrm{Rb}$ Molecules

  • K.C. Cossel, D.N. Gresh, L.C. Sinclair, T. Coffey, L.V. Skripnikov, A.N. Petrov, N.S. Mosyagin, A.V. Titov, R.W. Field, E.R. Meyer, E.A. Cornell, J. Ye
    Broadband velocity modulation spectroscopy of HfF+: Towards a measurement of the electron electric dipole moment

2011

2010

2009

  • A.N. Petrov, N.S. Mosyagin, A.V. Titov
    Theoretical study of low-lying electronic terms and transition moments for $\mathrm{Hf}{\mathrm{F}}^{+}$ for the electron electric-dipole-moment search

  • А.Н. Петров, Н.С. Мосягин, А.В. Титов, А.В. Зайцевский, Е.А. Рыкова
    Неэмпирическое Исследование Ван-дер-ваальсовых Взаимодействий Hg-Hg и E112-E112

  • L.V. Skripnikov, A.N. Petrov, A.V. Titov, N.S. Mosyagin
    Electron electric dipole moment: Relativistic correlation calculations of the $P,T$-violation effect in the ${^{3}\Delta}_{3}$ state of ${\text{PtH}}^{+}$

  • O.V. Sizova, L.V. Skripnikov, A.Yu. Sokolov, V.V. Sizov
    Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders
    Affiliation: Saint Petersburg State University

  • Л.В. Скрипников, А.Н. Петров, Н.С. Мосягин, В.Ф. Ежов, А.В. Титов
    Спектроскопические свойства TlF−

  • А.В. Зайцевский, К.в. Вюллен, А.В. Титов
    Модель релятивистских псевдопотенциалов для сверхтяжелых элементов: приложения к исследованию химических свойств эка-ртути и эка-свинца

2008

2007

2006

2005

2004

2003

2002

2001

2000

  • T.A. Isaev, N.S. Mosyagin, M.G. Kozlov, A.V. Titov, E. Eliav, U. Kaldor
    Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb 2+

  • N.S. Mosyagin, E. Eliav, A.V. Titov, U. Kaldor
    Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method

  • A.N. Petrov
    Quantum-chemical study of possibility of generating laser radiation on the excimer cations HeNa+, NeNa+, and HeO+

  • A.V. Titov, N.S. Mosyagin
    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)]

  • A.V. Titov, N.S. Mosyagin
    Generalized Relativistic Effective Core Potential Method: Theory and calculations

1999

  • A.I. Panin, A.N. Petrov, Y.G. Khait
    Theoretical study of low-lying electronic states and emission spectra of the excimer ions NaHe+ and NaNe+

  • A. N Petrov, A. Panin
    Electronic Structure of the Excimer Emitting Systems of the Type Inert Gas-Alkali Metal: The HeNa$^+$ Cation

  • A.V. Titov, N.S. Mosyagin
    Generalized relativistic effective core potential: Theoretical grounds

  • В.Г. Кузнецов, И.В. Абаренков, В.А. Батуев, А.В. Титов, И.И. Тупицын, Н.С. Мосягин
    Многоконфигурационные расчеты электронной структуры Ag2, Ag2$^+$ с эффективным потенциалом остова. II. Спектроскопические постоянные и низколежащие электронные состояния
    English translation: Optics and Spectroscopy, 87, 6, 963-973 (1999)

1998

  • N.S. Mosyagin, M.G. Kozlov, A.V. Titov
    Electric dipole moment of the electron in the YbF molecule

  • N. Mosyagin, M. Kozlov, A. Titov
    All-electron Dirac-Coulomb and RECP calculations of excitation energies for mercury atom with combined CI/MBPT2 method

  • N. Mosyagin, A. Titov
    Comment on "Accurate relativistic effective potentials for the sixth-row main group elements" [J.Chem.Phys. 107, 9975 (1997)]

  • В.Г. Кузнецов, И.В. Абаренков, В.А. Батуев, А.В. Титов, И.И. Тупицын, Н.С. Мосягин
    Многоконфигурационные расчеты электронной структуры Ag2, Ag2$^+$ с эффективным потенциалом остова. I. Атомные расчеты и построение эффективного потенциала остова Ag
    English translation: Optics and Spectroscopy, 84, 3, 357-363 (1998)

1997

1996

  • A.V. Titov, N.S. Mosyagin, V.F. Ezhov
    $\mathit{P},\mathit{T}$-Odd Spin-Rotational Hamiltonian for YbF Molecule

  • A.V. Titov
    A two-step method of calculation of the electronic structure of molecules with heavy atoms: Theoretical aspect

  • V.A. Batuev, V.G. Kuznetsov, A.V. Titov, I.I. Tupitsyn, N.S. Mosyagin, I.V. Abarenkov
    Ab initio calculations of Ag2, Ag2+ with Effective Core Potential: Spectroscopic constants and low-lying electronic states

1995

1994

1993

1992

1991

1988

  • Yu.Yu. Dmitriev, A.V. Titov, A.V. Shtoff
    Generalized Brillouin Theorem and Calculation of Transition Matrices and Energies for Atoms and Molecules

1987

1985

  • Yu.Yu. Dmitriev, A.V. Titov
    Generalized Brillouin theorem and self-consistent approximation for transition density matrix

  • Yu.Yu. Dmitriev, M.G. Kozlov, L.N. Labzovsky, A.V. Titov
    EDM of the PbF molecule induced by P,T-nonconcerving neutral current