Publications


2017

  • Семенов С.Г., Бедрина М.Е.
    "Квантово-химическое исследование молекул (μ‑оксо)бис[фталоцианинатогаллия(III)] и (μ‑оксо)бис[перфторфталоцианинатогаллия(III)]."
  • Семенов С.Г., Бедрина М.Е., Макарова М.В., Титов А.В.
    "Квантово-химическое исследование эндокомплекса Fe@C60."
  • A. Zaitsevskii, N. S. Mosyagin, A. V. Stolyarov, and E. Eliav,
    "Approximate relativistic coupled-cluster calculations on heavy alkali-metal diatomics: Application to the spin-orbit-coupled A1Σ+ and b3Π states of RbCs and Cs2"
    Phys. Rev. A, 96, 022516(2017)
  • A.N. Petrov, L.V. Skripnikov, A.V. Titov
    "Zeeman interaction in 3Δ1 state of HfF+ to search for the electron electric-dipole-moment"
    Phys. Rev. A, 96, 022508(4 August 2017)
    pdf file, for local use
    eprint
  • L.V. Skripnikov
    "Communication: Theoretical study of HfF+ cation to search for the T,P-odd interactions"
    J. Chem. Phys. 147, 021101 (11 July 2017)
    pdf file, for local use
    eprint
  • D.V. Chubukov, L. Skripnikov, O. Andreev, L. Labzowsky, G. Plunien
    "Effects of parity nonconservation in molecule of oxygen"
    J. Phys. B: At. Mol. Opt. Phys. 50, 105101 (2017)
  • Yuriy V. Lomachuk, Daniil A. Maltsev, Yuriy A. Demidov, Nikolay N. Mosyagin, Edward Fomin, Roman V. Bogdanov, Andrei V. Zaitsevskii, and Anatoly V. Titov
    "Calculations of chemical shifts of x-ray emission spectra and effective states of Nb atom in the Niobates "
  • Nikolai S. Mosyagin
    "Generalized Relativistic Effective Core Potentials for Lanthanides "
  • A. Oleynichenko A. Zaitsevskii
    "Projection Population Analysis for Molecules with Heavy and Superheavy Atoms"
  • L.V. Skripnikov, A.V. Titov, V.V. Flambaum
    "Enhanced effect of CP-violating nuclear magnetic quadrupole moment in a HfF+ molecule"
    Phys. Rev. A 95, 022512 (28 February 2017)
    pdf file, for local use
    eprint
  • L.V. Skripnikov, D.E. Maison, N.S. Mosyagin
    "Scalar-pseudoscalar interaction in the francium atom"
    Phys. Rev. A 95, 022507 (16 February 2017)
    pdf file, for local use
    eprint
  • 2016

    • V. M. Shakhova, S. G. Semenov, Yu. V. Lomachuk, Yu. A. Demidov, L. V. Skripnikov, N. S. Mosyagin, A. V. Zaitsevskii, A. D. Kudashov, A. V. Titov
      "Spectra of Yb(II)/Yb(III) Fluorides: a Quantum Chemical Study "
    • L.V. Skripnikov
      "Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search"
      J. Chem. Phys. 145, 214301 (December 2016)
      eprint: arXiv:1610.00994 [physics.atom-ph] (October 2016)
      pdf file, for local use
    • V. V. Baturo, S. S. Lukashov, A. N. Petrov, S. A. Poretsky, A. M. Pravilov, I. N. Cherepanov
      "Vibronic quasi-resonance Raman scattering from the valence state 0+g(bb) through the ion-pair states D+u of fhe iodine molecules"
      Optics and Spectroscopy (December 2016), accepted
    • L.V. Skripnikov, A.V. Titov
      "Reply to the Comment on "Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H3Δ1 in ThO""
      arXiv:1610.02928 [physics.atom-ph] (October 2016)
    • Semenov, S. G.; Bedrina, M. E.; Titov, A. V.
      "Квантовохимическое исследование бис- и тетракисфталоцианинатов лютеция и иттербия"
      Журнал общей химии, 86(11), 1873–1877 (November 2016)
    • Richard Roy, Rajendra Shrestha, Alaina Green, Subhadeep Gupta, Ming Li, Svetlana Kotochigova, Alexander Petrov, and Chi Hong Yuen
      "Photoassociative production of ultracold heteronuclear YbLi* molecules"
      Phys.Rev.A, 94, 033413 (September 2016)
    • L.V. Skripnikov, A.V. Titov
      "LCAO-based theoretical study of PbTiO3 crystal to search for parity and time reversal violating interaction in solids"
      J. Chem. Phys., 145, 054115 (August 2016)
      pdf file, for local use
    • A.V. Zaitsevskii, L.V. Skripnikov, A.V. Titov
      "Chemical bonding and effective atomic states of actinides in higher oxide molecules"
      Mendeleev Communications, 26 (4), 307-308 (July 2016)
    • Semenov, S. G.; Bedrina, M. E.; Titov, A. V.
      "Quantum-chemical study of ytterbium fluorides and of complex F2YbF2CeF2"
      Russ. J. Gen. Chem., 86(6), 1215–1220 (June 2016)
    • Semenov, S. G.; Bedrina, M. E.; Egorov, N. V.; Titov, A. V.
      "Quantum-chemical study of lutetium, ytterbium, and gadolinium phthalocyaninates PcLnCl"
      Russ. J. Gen. Chem., 86(5), 1095-1101 (May 2016)
    • Ломачук Ю.В., "Метод расчета химических сдвигов рентгеновских эмиссионных спектров"
      диссертация к. ф.-м. н., СПбГУ (03 марта 2016)
    • Демидов Ю.А. "Квантовохимическое моделирование электронной структуры соединений сверхтяжелых элементов"
      диссертация к. ф.-м. н., ИХФ (17 февраля 2016)
    • N.S. Mosyagin, A.V. Zaitsevskii, L.V. Skripnikov, A.V. Titov
      "Generalized relativistic effective core potentials for actinides"
      Int. J. Quant. Chem., 116(4), 301-315 (February 15, 2016)
    • Makarova M.V., Semenov S.G., Guskova O.A.
      "Computational study of structure, electronic, and microscopic charge transport properties of small conjugated diketopyrrolopyrrole–thiophene molecules."

    2015

    • Макарова М.В., Семенов С.Г.
      "Оценка оптической активности многоатомных молекул методами DFT."
    • Семенов С.Г., Макарова М.В.
      "Квантовохимическое исследование эндокомплексов Ca@C60 и Sc+@C60 в газовой фазе и в пиридине."
    • T. Maier, H. Kadau, M. Schmitt, M. Wenzel, I. Ferrier-Barbut, T. Pfau, A. Frisch, S. Baier, K. Aikawa, L. Chomaz, M. J. Mark, F. Ferlaino, C. Makrides, E. Tiesinga, A. Petrov, and S. Kotochigova
      "Emergence of chaotic scattering in ultracold Er and Dy"
    • A. Frisch, M. Mark, K. Aikawa, S. Baier, R. Grimm, A. Petrov, S. Kotochigova, G. Quéméner, M. Lepers, O. Dulieu, and F. Ferlaino
      "Ultracold dipolar molecules composed of strongly magnetic atoms"
    • В. М. Шахова, С. Г. Семенов, А. В. Титов
      "Квантовохимическое исследование молекулы пентафторбензоата пентафторфенилксенония(II) в свободном состоянии и в ацетонитрил"
    • E. A. Pazyuk, A. V. Zaitsevskii, A. V. Stolyarov, M. Tamanis, R. Ferber
      "Optimization and control of the laser synthesis of ultracold alkali metal dimers"
      Russ. Chem. Rev., 84 (10), 1001- 1020 (8 November 2015)
    • В. М. Шахова, С. Г. Семенов, А. В. Титов
      "Квантовохимическая оценка релаксации равновесной структуры при радиохимических реакциях йодсодержащих молекул и ионов"
    • С.Г. Семенов, В.М. Шахова, М.В. Макарова
      "Квантовохимическое исследование структуры ионных комплексов металлов I и II групп с ксеноном и криптоном"
    • Alexander Dunning, Alexander Petrov, Steven J. Schowalter, Prateek Puri, Svetlana Kotochigova, and Eric R. Hudson
      "Photodissociation spectroscopy of the dysprosium monochloride molecular ion"
      JCP, 143, 124309 (29 September 2015)
    • L.V. Skripnikov, A.N. Petrov, A.V. Titov, R.J. Mawhorter, A.L. Baum, T.J. Sears, J.-U. Grabow
      "Further investigation of g factors for the lead monofluoride ground state"
      Phys. Rev. A 92, 032508 (15 September 2015)
      pdf file, for local use
      [e-print: http://arxiv.org/abs/1505.00137]
    • A. Zaitsevskii
      "Plutonium and transplutonium element trioxides: molecular structures, chemical bonding, isomers"
      Phys. Chem. Chem. Phys., 17, 24831 - 24836 (20 August 2015)
    • Yu. Demidov, A. Zaitsevskii
      "A comparative study of molecular hydroxides of element 113 (I) and its possible analogs: ab initio electronic structure calculations"
      Chem. Phys. Lett., 638, 21 - 24 (7 August 2015)
    • L.V. Skripnikov, A.N. Petrov, N.S. Mosyagin, A.V. Titov and V.V. Flambaum
      "TaN molecule as a candidate for the search for a T,P-violating nuclear magnetic quadrupole moment"
      Phys. Rev. A 92, 012521 (27 July 2015)
      pdf file, for local use
      [e-print: http://arxiv.org/abs/1504.02674 (13 April 2015)]
    • A.N. Petrov
      "AC Stark effect in ThO H3Δ1 for the electron EDM search"
      Phys. Rev. A 91, 062509 (23 June 2015),
      pdf file, for local use
      [e-print: http://arxiv.org/abs/1505.00349]
    • A.V. Zaitsevskii, Yu.A. Demidov, N.S. Mosyagin, L.V. Skripnikov, A.V. Titov
      "First Principle Based Modeling and Interpretation of Chemical Experiments on Superheavy Element Identification "
    • Yu. A. Demidov, A. Zaitsevskii
      "Chemical Pseudo-Homologues of Superheavy Element 113"
      Proceedings of International Symposium on Exotic Nuclei, 285-290 (2015)
    • A.V. Zaitsevskii, A.V. Polyaev, Yu. A. Demidov, N.S. Mosyagin, Yu. V. Lomachuk, A.V. Titov
      "Superheavy Element Chemistry by Relativistic Density Functional Theory Electronic Structure Modeling"
      Proceedings of International Symposium on Exotic Nuclei, 291-302 (2015)
    • William Dowd, Richard J. Roy, Rajendra K. Shrestha, Alexander Petrov, Constantinos Makrides, Svetlana Kotochigova, and Subhadeep Gupta
      "Magnetic field dependent interactions in an ultracold Li-Yb(3P2) mixture"
      NJP 17 055007 (7 May 2015)
    • Alexander Petrov, Constantinos Makrides, and Svetlana Kotochigova
      "Magnetic control of ultra-cold 6Li and 174Yb(3P3) atom mixtures with Feshbach resonance"
      NJP 17 045010 (17 April 2015)
    • M. Deminsky, S. Adamson, I. Chernysheva, N. Dyatko, A. Eletzkii, I. Kochetov, A. Napartovich, E. Rykova, L. Sukhanov, S. Umanskii, A. Zaitsevskii, D.J. Smith, T.J. Sommerer, J. Costas, B. Potapkin
      "Comparative nonempirical analysis of emission properties of the Ar–MeIn glow discharge (Me = Ga, Zn, Sn, In, Bi, Tl)"
      J. Phys. D: Appl. Phys. 48 205202 (20pp)(16 April 2015)
    • L.V. Skripnikov, A.V. Titov
      "Theoretical study of ThF+ in the search for T,P-violation effects: Effective state of a Th atom in ThF+ and ThO compounds"
      pdf file, for local use
    • C. Makrides, J. Hazra, G. B. Pradhan, A. Petrov, B. K. Kendrick, T. Gonz´alez-Lezana, N. Balakrishnan, and S. Kotochigova
      "Ultracold chemistry with alkali-metal–rare-earth molecules"
      Phys.Rev.A 91 012708 (January 20 2015)
    • L.V. Skripnikov, A.V. Titov
      "Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H3Δ1 in ThO"
    • 2014

      • L.V. Skripnikov, A.N. Petrov, A.V. Titov and V.V. Flambaum
        "CP-Violating Effect of the Th Nuclear Magnetic Quadrupole Moment: Accurate Many-Body Study of ThO "
        Phys. Rev. Lett. 113, 263006 (2014)
        pdf file, for local use
        e-print: http://arxiv.org/abs/1408.5368 (2014)
      • 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"
        Phys. Rev. A 90, 064501 (2014)
        pdf file, for local use
        e-print: http://arxiv.org/abs/1411.3355 (2014)
      • Anatoly V. Titov, Yuriy V. Lomachuk, Leonid V. Skripnikov
        "Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores"
        Phys. Rev. A 90, 052522 (2014)
      • 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"
        Phys. Rev. A 90 052513 (2014)
        e-print: http://arxiv.org/abs/1405.6391 (2014)
      • Prateek Puri, Steven J. Schowalter, Svetlana Kotochigova, Alexander Petrov, and Eric R. Hudson
        "Action spectroscopy of SrCl+ using an integrated ion trap time-of-flight mass spectrometer"
        JCP 141 014309 (2014)
      • Ю.А. Демидов, А.В. Зайцевский
        "Моделирование химических свойств сверхтяжелых элементов "острова стабильности"
        Известия Академии наук. Серия химическая, №8, с. 1647–1655 (2014)
      • Albert Frisch, Michael Mark, Kiyotaka Aikawa, Francesca Ferlaino, John Bohn, Constantinos Makrides, Alexander Petrov, and Svetlana Kotochigova
        "Quantum chaos in ultracold collisions of gas-phase erbium atoms"
        Nature 507 475 (2014)
      • 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 H3Δ1 for the electron EDM search"
        Phys. Rev. A 89, 062505
        pdf file, for local use
        [e-print: http://arxiv.org/abs/1404.4024 (2014)]
      • Andrei Zaitsevskii and W.H. Eugen Schwarz.
        "Structures and stability of AnO(4) isomers, An = Pu, Am, and Cm: a relativistic density functional study.
        Physical Chemistry Chemical Physics, 16 (19), 8997–9001 (2014)
      • А.С. Минкин, А.В. Зайцевский, С.А. Круглов, Н.С. Марченков, А.В. Поляев.
        " Перспективы использования 225Ac в альфа-радиоиммунной терапии злокачественных новообразований"
        Медицинская физика, 1 (61), 42–50, (2014)
      • Alexander Khramov, Anders Hansen, William Dowd, Richard J. Roy, Constantinos Makrides, Alexander Petrov, Svetlana Kotochigova, Subhadeep Gupta
        "Ultracold Heteronuclear Mixture of Ground and Excited State Atoms"
        Phys.Rev.Lett. 112 033201 (2014)
      • Yu. Demidov, A. Zaitsevskii and R. Eichler
        "First principle based modeling of the adsorption of an element 120 atom on a gold surface"
        Phys. Chem. Chem. Phys (Rapid Comm.) 16, 2268–2270 (2014)

      2013

      2012

      • 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”,
        Chem. Phys. Lett. 546(12) 1-11 (2012). (FRONTIERS ARTICLE)
      • Y. V. Lomachuk, A. V. Titov
        "Метод расчета химических сдвигов энергий переходов для внутренних атомных оболочек в молекулах и твердых телах "
        Препринт ПИЯФ. №2890
      • A. Petrov, E. Tiesinga, S. Kotochigova,
        "Anisotropy-Induced Feshbach Resonances in a Quantum Dipolar Gas of Highly Magnetic Atoms",
        Phys.Rev.Lett., 109, 103002 (2012)
      • 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 40K87Rb Molecules",
        Phys.Rev.Lett. 109, 230403 (2012)

      2011

      • L.V. Skripnikov, A.V. Titov, A.N. Petrov, N.S. Mosyagin, O.P. Sushkov
        "Enhancement of the electron electric dipole moment in Eu2+"
        Phys. Rev. A 84, 022505 (2011) (e-print: http://arxiv.org/abs/1103.2654), pdf file
      • A.V. Zaitsevskii, A.V. Titov, A.A. Rusakov, C. van Wuellen
        "Ab initio study of element 113-gold interactions"
        Chem. Phys. Lett., 508 (4-6), 329-331 (2011)
      • A.N. Petrov
        "Hyperfine and Zeeman interactions of the $a(1)[^3\Sigma^+_1]$ state of PbO"
        Phys. Rev. A 83, 024502 (2011) (e-print: http://arxiv.org/abs/1011.3306 1-6)
      • N.S.Mosyagin, A.N.Petrov, A.V.Titov
        "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"
        Int.J.Quant.Chem., v.111, No.14, 3793-3798 (2011)
      • G. Qu'em'ener, J.L. Bohn, A.Petrov, and S. Kotochigova,
        "Universalities in ultracold reactions of alkali polar molecules"
        Phys. Rev. A 84, 062703 (2011)
      • W.G. Rellergert, S.T. Sullivan, S. Kotochigova, A. Petrov, K. Chen, S.J. Schowalter, and E.R. Hudson
        "Measurement of a large chemical reaction rate between ultracold closed-shell 40Ca atoms and open-shell 174Yb+ ions held in a hybrid atom-ion trap"
        Phys. Rev. Lett. 107, 243201 (2011)
      • S. Kotochigova, A. Petrov, M. Linnik, J. Klos, and P.S. Julienne, "Ab initio properties of Li-Group-II molecules for ultracold matter studies"
        "Ab initio properties of Li-Group-II molecules for ultracold matter studies"
        J. Chem. Phys. 135, 164108
      • S. Kotochigova and A. Petrov
        "Anisotropy in the interaction of ultracold dysprosium"
        Phys. Chem. Chem. Phys. 13, 19165-19170 (2011)
      • L.D. Alphei, J.-U. Grabow, A.N. Petrov, R. Mawhorter, B. Murphy, A. Baum, T.J. Sears, T.Zh. Yang, P.M. Rupasinghe, C.P. McRaven, and N.E. Shafer-Ray
        "Precision spectroscopy of the 207Pb19F molecule: Implications for measurement of P-odd and T-odd effects"
        Phys. Rev. A 83, 040501(R) (2011)
      • K. Chen, S.J. Schowalter, S. Kotochigova, A. Petrov, W.G. Rellergert, S.T. Sullivan, and E.R. Hudson
        "Molecular-ion trap-depletion spectroscopy of BaCl+"
        Phys. Rev. A 83, 030501(R) (2011)

      2010


      2009
      • L. V. Skripnikov, A. N. Petrov, A. V. Titov, and N. S. Mosyagin
        "Electron electric dipole moment: Relativistic correlation calculations of the P,T-violation effect in the 3Delta3 state of PtH+"
        Phys. Rev. A 80, 060501(R) (2009)
      • А.В. Зайцевский, К. ван Вюллен, А.В. Титов
        "Модель релятивистских псевдопотенциалов для сверхтяжелых элементов: приложения к исследованию химических свойств эка-Hg и эка-Pb"
        Успехи химии 78(12), 1263-1272 (2009)
      • Скрипников Л.В., Петров А.Н., Мосягин Н.С., Ежов В.Ф., Титов А.В.,
        "Спектроскопические свойства TlF-",
        Оптика и спектроскопия 106(6), 876–878, 2009
      • А.Н.Петров, Н.С.Мосягин, А.В.Титов, А.В.Зайцевский and Е.А.Рыкова,
        "Неэмпирическое исследование ван-дер-ваальсовых взаимодействий Hg--Hg и E112--E112",
        Ядерная физика, 72(3), 429-433, (2009).
      • Mosyagin N.S., Petrov A.N., Titov A.V., Zaitsevskii A.V., Rykova E.A.,
        "Accurate calculations of spectroscopic constants for the Yb dimer",
        arXiv:0901.0077 (2009).
      • Petrov A.N., Mosyagin N.S. and Titov A.V.,
        "Theoretical study of low-lying electronic terms and transition moments for HfF+ for the electron EDM search",
        Phys. Rev. A, 79, 012505 (2009).


      • 2008
      • Скрипников Л.В., Мосягин Н.С., Петров А.Н. and Титов А.В.,
        "К поиску вариации постоянной тонкой структуры: неэмпирический расчет HfF+",
        Письма в ЖЭТФ, vol. 88, issue 9, page 668-672, 2008.
        http://www.jetpletters.ac.ru/ps/1853/article_28280.shtml
      • R.A. Evarestov, M.V. Losev, A.I. Panin, N.S. Mosyagin and A.V. Titov,
        "Electronic structure of crystalline uranium nitride: LCAO DFT calculations",
        Phys.Stat.Sol. (b), 245, N 1, 114–122 (2008)
      • А.В.Зайцевский, Е.А.Рыкова, А.В.Титов,
        "Теоретические исследования строения и свойств соединений сверхтяжелых элементов",
        Успехи химии, 2008, 77, N 3, 211–226.


      • 2007
      • Isaev T.A., Petrov A.N., Mosyagin N.S., Titov A.V.,
        "Search for nuclear Schiff moment in liquid xenon",
        Phys. Rev. A, 75, 032515 (2007);
        [arXiv: physics/0611171].
      • Petrov A.N., Mosyagin N.S., Isaev T.A., Titov A.V.,
        "Theoretical study of HfF+ in search of the electron electric dipole moment",
        Phys. Rev. A, 76, 030501(R) (2007);
        [arXiv: physics/0611254].


      2006
      • E. A. Rykova, A. Zaitsevskii, N. S. Mosyagin, T. A. Isaev and A. V. Titov.
        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.
        J.Chem.Phys., v.125, 241102 (2006).
      • A. V. Titov, N. S. Mosyagin, A.N. Petrov, T.A. Isaev and D. DeMille.
        Study of parity violation effects in polar heavy-atom molecules.
        In: Recent Advances in the Theory of Chemical and Physical Systems ["Progress in Theoretical Chemistry and Physics" series], Ed: J.-P. Julien, J.Maruani, D. Mayou, S.Wilson and G.Delgado-Barrio, v.15, chapt.2, pp. 253-284;
        pdf file, for local use
      • N. S. Mosyagin, A.N. Petrov, A.V.Titov and I.I.Tupitsyn.
        Generalized RECPs accounting for Breit effects: uranium, plutonium and superheavy elements 112,113,114.
        In: Recent Advances in the Theory of Chemical and Physical Systems ["Progress in Theoretical Chemistry and Physics" series], Ed: J.-P. Julien, J.Maruani, D.Mayou, S.Wilson and G.Delgado-Barrio, v.15, chapt.2, pp. 229-252;
        pdf file, for local use
      • N.S. Mosyagin, T.A. Isaev and A.V. Titov.
        Is E112 a relatively inert element? Benchmark relativistic correlation study of spectroscopic constants in E112H and its cation.
        J.Chem.Phys. 124, 22, 224302. pdf file, for local use
      • A.V. Zaitsevskii, E.A. Rykova, N.S. Mosyagin and A.V. Titov.
        Towards relativistic ECP/DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au).
        Central European Journal of Physics, 4, 4, 448--460.
          2005
        • T.A. Isaev, N. S. Mosyagin, A.N. Petrov and A.V.Titov.
          On the electron EDM enhancement in HI+.
          Phys.Rev.Letters, 95, 163004.
          Eprint: http://arXiv.org/abs/physics/0412177;
        • A.V. Titov, N.S. Mosyagin, A.N. Petrov and T.A. Isaev.
          Benchmark ab initio study of heavy- and superheavy-element systems.
          PNPI Progress Report 2005.
          PDF file: PDF file.
        • A.N. Petrov, A.V. Titov, T.A. Isaev, N.S. Mosyagin and D. DeMille.
          Configuration interaction calculation of hyperfine and P,T-odd constants on 207PbO excited states for the electron EDM experiments.
          Phys.Rev.A, 72, 022505.
          Eprint: http://arXiv.org/abs/physics/0409045;
        • N.S. Mosyagin and A.V. Titov.
          Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds.
          J.Chem.Phys, 112, 234106
          Eprint: http://arXiv.org/abs/physics/0406143;
        • A. V. Titov, N. S. Mosyagin, A. N. Petrov and T.A. Isaev.
          Two-step method for precise calculation of core properties in molecules.
          Int. Journal of Quantum Chemistry, 104, 2, 223-239.
          Eprint: http://arXiv.org/abs/physics/0409071;

          2004
        • T.A. Isaev, A.N. Petrov, N.S. Mosyagin, A.V. Titov, E. Eliav and U. Kaldor.
          In search of the electron dipole moment: Ab initio calculations on 207PbO excited states.
          Phys. Rev. A (Rapid Comm.), 69, 030501(R).
          Eprint: http://arXiv.org/abs/physics/0306071;
          Abstract
        • A. N. Petrov, N. S. Mosyagin, A. V. Titov, I.I. Tupitsyn.
          Accounting for the Breit interaction in relativistic effective core potential calculatons of actinides.
          Eprint: http://arXiv.org/abs/physics/0311026; J. Phys. B, 37, 4621.
          Abstract
        • Isaev T.A.
          Ab initio calculations of the electronic structure of the lead atom and its compounds with the chemical accuracy.
          PhD thesis (on Theoretical Physics) ps.gz format. In Russian.

          2003
        • A.V. Titov, N.S. Mosyagin, T.A. Isaev, A.N. Petrov.
          Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds.
          Eprint: http://xxx.arxiv.org/abs/physics/0209035.
          Physics of Atomic Nuclei (English version), Vol. 66, No. 6, 2003, 1152-1162.
          Yadernaya Fizika, Vol. 66, No. 6, 2003, 1188-1198.
          Abstract ,Abstract (in Russian)

        • 2002
        • Mosyagin N.S., Titov A.V., Buenker R.J., H-P Liebermann and Alekseyev A.B.
          GRECP/MRD-CI calculations of the Hg atom and HgH molecule.
          E-print:http: //preprint.chemweb.com/physchem/0112005
          Int.J.Quant.Chem., 88(5), 681-686 (2002).
          Abstract
        • Isaev T.A., Mosyagin N.S., Titov A.V., Alekseyev A.B. and Buenker R.J.
          GRECP/5e-MRD-CI calculation of the electronic structure of PbH.
          E-print:http://xxx.lanl.gov/abs/physics/0108021.
          Int.J.Quant.Chem., 88(5), 687-690 (2002).
          Abstract
        • Petrov A.N., Mosyagin N.S., Isaev T.A., Titov A.V., Ezhov V.F., Eliav E. and Kaldor U.,
          Calculation of the P,T-odd effects in 205TlF including electron correlation,
          Phys.Rev.Lett., 88, 073001, (2002);
          E-print:http://xxx.lanl.gov/abs/physics/0108024;
          Abstract
        • Titov A.V.
          Generalized Relativistic Effective Potential and restoration of the electronic structure in heavy atom cores and molecules.
          ScD thesis (Doctor of Science degree on Theoretical Physics) in PDF and PS formats.
          Autoreferat of the thesis in PDFand PSformats.

        • 2001

        • A.N.Petrov and A.I.Panin
          Electronic structure and fluorescence spectra of HeO+ cation.
          Optics and Spectroscopy, 90 367-370 (2001);
          Optika i Spectroscopiya (in Russian), 90 424-428 (2001).
          Abstract
        • Mosyagin N.S., Eliav E., and Kaldor U.
          Convergence improvement for coupled cluster calculations.
          J.Phys.B, 34(3), 339-343 (2001).
          E-print:http://xxx.lanl.gov/abs/physics/0009060.
          Abstract
        • Titov A.V., Mosyagin N.S., Alekseyev A.B. and Buenker R.J.
          GRECP/MRD-CI calculations of the spin-orbit splitting in the ground state of Tl and of the spectroscopic properties of TlH.
          Int.J.Quant.Chem., 81(6), 409-421 (2001).
          E-print:http://xxx.lanl.gov/abs/physics/0008155.
          Abstract
          Additional information on basis sets and calculation results.
        • Mosyagin N.S., Titov A.V., Eliav E., and Kaldor U.
          Generalized Relativistic Effective Core Potential and Relativistic Coupled Cluster calculation of the spectroscopic constants for the HgH molecule and its cation.
          J.Chem.Phys., 115(5) 2007-2013 (2001);
          E-print:http://xxx.lanl.gov/abs/physics/0101047.
          Abstract
        • V.F.Ezhov, M.G.Groshev, T.A.Isaev, V.V.Knjazkov, M.G.Kozlov, G.B.Krygin, N.S.Mosyagin, A.N.Petrov, S.G.Porsev, V.L.Ryabov, A.V.Titov.
          Study of the weak interactions by means of atomic and molecular spectroscopy.
          Article in PNPI scientific report book (2001).
          Report in HTML format
          2000
        • N.S.Mosyagin, E.Eliav, A.V.Titov, and U.Kaldor.
          Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled cluster method.
          J.Phys.B, 33, 667-676 (2000).
          Abstract
          Additional information on basis sets and calculation results.
        • Isaev T.A., Mosyagin N.S., Titov A.V., Kozlov M.G., Eliav E., and Kaldor U.:
          Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+.
          Abstract
          J.Phys.B, 33, 5139-5150 (2000).
          Additional information on basis sets and calculation results.
        • Petrov A.N.:
          Quantum-chemical study of possibility of generating laser radiation on the excimer cations HeNa+, NeNa+, and HeO+.
          Ph.D. thesis, St.-Petersburg University, 16p. (2000)
        • Titov A.V. and Mosyagin N.S.
          Generalized Relativistic Effective Core Potential Method: Theory and calculations.
          Rus.J.Phys.Chem. [Zh.Phys.Khimii], 74, Suppl.2, S376-S378 (2000);
          (Lecture on 2nd V.A.Fock school(-conference) on Quantum and Computational Chemistry, Yaroslav the Wise University of Novgorod, 31 January - 4 February 2000, Novgorod the Great, RUSSIA);
          E-print:http://xxx.lanl.gov/abs/physics/0008160.
          Abstract
        • Titov A.V. and Mosyagin N.S.
          Comment on "Effective Core Potentials" [ M.Dolg, Modern methods and algorithms of quantum chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, Julich, NIC series Vol. 1, ISBN-3-00-005618-1, pp. 479-508, 2000)]
          E-print:http://xxx.lanl.gov/abs/physics/0008239.
          Abstract

          1999

        • A.V.Titov and N.S.Mosyagin:
          Generalized Relativistic Effective Core Potential Method: Theoretical grounds
          Int.J.Quant.Chem., 71(5), 359-401 (1999).
          Abstract
        • A.I.Panin, A.N.Petrov, and Yu.G. Khait:
          Theoretical study of low-lying electronic states and emmision spectra of excimer ions HeNa+ and NeNa+.
          Theochem., 490, 189-200 (1999).
          Abstract
        • A N Petrov and A I Panin.
          Electronic Structure of the Excimer Emitting Systems of the Type Inert Gas-Alkali Metal: The HeNa+ Cation.
          Optics and Spectroscopy, 86(3) 377-382 (1999).
          Optika i Spectroscopiya (in Russian), 86(3) 432-437 (1999).
          Abstract

        1998
          1997
        • Mosyagin, N.S., Titov, A.V. and Latajka, Z.:
          Generalized Relativistic Effective Core Potential. II. Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn.
          Int.J.Quant.Chem. 63, 1107-1122 (1997).
          Abstract
        • I.V.Abarenkov, V.L.Bulatov, R.Godby, V.Heine, M.C.Payne, P.V.Souchko, A.V.Titov, and I.I.Tupitsyn,
          Electronic structure multiconfigurational calculation of a small cluster embedded in an LDA host.
          Phys.Rev.B, 56, 1743-1750 (1997).
          Abstract
        • M.G.Kozlov, A.V.Titov, N.S.Mosyagin and P.V.Souchko:
          Enhancement of the electric dipole moment of the electron in BaF molecule.
          E-print: http://xxx.lanl.gov/abs/physics/9707011,
          Phys.Rev.A, 56, R3326-R3329 (1997).
          Abstract
        • A.V.Titov and N.S.Mosyagin:
          Generalized Relativistic Effective Core Potential Method: Theoretical grounds
          Preprint PNPI No 2182 (Petersburg Nuclear Physics Institute, St.-Petersburg), 81pp.
          Abstract
          1996
        • Titov, A.V.:
          A Two-step Method of Calculation of Electronic Structure of Molecules with Heavy Atoms. Theoretical Aspect.
          Int.J.Quant.Chem., 57, 453-463 (1996).
          Abstract
        • Batuev, V.A., Kuznetsov, V.G., Titov, A.V., Tupitsyn, I.I., Mosyagin, N.S. and Abarenkov, I.V.:
          Ab initio calculations of Ag2, Ag2+ with Effective Core Potential: Spectroscopic constants and low-lying electronic states.
          Preprint PNPI No 2095 (Petersburg Nuclear Physics Institute, St.-Petersburg,1996), 26 pp.;
          Abstract
          Multiconfiguration Calculations of the Electron Structure of Ag2 and with the Aid of the Effective Core Potential: I. Atomic Calculations and Construction of an Effective Core Potential for Ag.
          Optics and Spectroscopy, 84(3),307-312, [357-363 in Russian issue], (1998);
          Multiconfiguration Calculations of the Electronic Structure of Ag2 and with an Effective Core Potential: II. Spectroscopic Constants and Low-Lying Electronic States.
          Optics and Spectroscopy, 87(6),877-897, [963-973 in Russian issue], (1999).
          Abstract (in Russian)
        • A.V.Titov, N.S.Mosyagin, and V.F.Ezhov:
          P,T-Odd Spin-Rotational Hamiltonian for YbF Molecule.
          Phys.Rev.Lett., 77, 5346-5349 (1996).
          Abstract
          1995
        • Tupitsyn, I.I., Mosyagin, N.S. and Titov, A.V.:
          Generalized Relativistic Effective Core Potential. I. Numerical calculations for atoms Hg through Bi.
          J.Chem.Phys., 103 6548-6555 (1995).
          Abstract
        • Titov, A.V. and Mosyagin, N.S.:
          Self-Consistent Relativistic Effective Core Potential for Transition Metal Atoms: Cu, Ag and Au.
          Structural Chemistry 6, 317-321 (1995).
          Abstract
          1994
        • Mosyagin, N.S., Titov, A.V. and Tulub, A.V.:
          Generalized-effective-core-potential method: Potentials for the atoms Xe, Pd and Ag.
          Phys.Rev.A, 50, 2239-2248 (1994).
          Abstract
          1993
        • Titov, A.V.:
          Variational Principle for Transition Matrix.
          Int.J.Quant.Chem., 45, 71-85 (1993).
          Abstract
          1992
        • Titov, A.V.:
          Matrix Elements of the U(2n) Generators in the Spin-Orbit Basis.
          Int.J.Quant.Chem., 42, 1711-1716 (1992).
          Abstract
        • Dmitriev, Yu.Yu., Khait, Yu.G., Kozlov, M.G., Labzovsky, L.N., Mitrushenkov, A.O., Shtoff, A.V. and Titov, A.V.:
          Calculation of the spin-rotational Hamiltonian including P- and P,T-odd week interaction terms for HgF and PbF molecules.
          Phys.Lett.A, 167, 280-286 (1992).
          Abstract
          1991
        • Titov, A.V., Mitrushenkov, A.O. and Tupitsyn, I.I.:
          Effective core potential for pseudo-orbitals with nodes.
          Chem.Phys.Lett., 185, 330-334 (1991).
          Abstract
          1988
        • Yu.Yu.Dmitriev, A.V.Titov and A.V.Shtoff:
          Generalized Brillouin Theorem and Calculation of Transition Matrices and Energies for Atoms and Molecules,
          in: "Mnogochastichnie effecti v Atomah", ed. U.Safronova (Academy of Sciences USSR, Moscow, 1988) 90-109 [in Russian].
          1987
        • Kozlov, M.G., Dmitriev, Yu.Yu., Fomichev, V.I., Labzovsky, L.N. and Titov, A.V. :
          Calculation of the P- and T-odd spin rotational Hamiltonian of the PbF molecule.
          J. Phys. B: At. and Mol. Phys. 20, 4939-4948, (1987).
          Abstract
          1985
        • Dmitriev, Yu.Yu., Kozlov, M.G., Labzovsky, L.N. and Titov, A.V.
          EDM of the PbF molecule induced by P,T-nonconcerving neutral current.
          Preprint LNPI No 1046 (Leningrad Nuclear Physics Institute, Leningrad), 18 pp. (in Russian)
        • Dmitriev,Yu.Yu. and Titov, A.V. :
          Generalized Brillouin theorem and self-consistent approximation for transition density matrix.
          Vestnic LGU (Leningrad University, Leningrad), No 18, 15-21, (1985) (in Russian)