about Andrei V. Zaitsevskii

Andrei V. Zaitsevskii:

Department of Innovations, B.P.Konstantinov Petersburg Nuclear Physics Institute, NRC "Kurchatov Institute", group leader; Chemistry Department, Moscow state University, principal researcher.

area of expertise:

  • many-body perturbation theory
  • theory of effective operators
  • relativistic quantum chemistry
  • theoretical chemistry of superheavy elements

current research activities:

  • multireference relativistic coupled cluster theory
  • first-principle based modeling of superheavy element properties
  • theoretical chemistry of early transuranium elements

code for manipulating FSRCC effective Hamiltonian eigenstates

The code is designed to perform

  • finite-field transition dipole moment calculations (A.V. Zaitsevskii, L.V. Skripnikov, A.V. Kudrin, A.V. Oleinichenko, E. Eliav, A.V. Stolyarov, Optics and Spectroscopy, 124, 4, 451-456 (2018))
  • quasidiabatization by projection ( A. Zaitsevskii, N.S. Mosyagin, A.V. Stolyarov, E. Eliav, Phys. Rev. A, 96, 022516 (2017))
  • Pade extrapolation of effective Hamiltonians (A. Zaitsevskii, E. Eliav. Int. J. Quantum Chem. 118 (23), e25772 (2018))

It is supposed that the effective Hamiltonians are obtained using Fock space relativistic coupled cluster facility of DIRAC, a relativistic ab initio electronic structure program (release DIRAC17 or later).

You can click here to download the source tarball (15 K). See the readme file therein for further instructions.


Electronic structure modelling for complex systems

Relativistic many-electron theory

Theory of effective operators and relativistic quantum chemistry in four hours

personal page at the MSU information system (ISTINA)

contact information:

Petersburg Nuclear Physics Institute, Orlova Roscha 1, Gatchina, Leningrad district 188300, RUSSIA
email: azaitsevskii@pnpi.spb.ru or zaitsevskii_av@pnpi.nrcki.ru
Telephone/Fax: +7-(81371)-46106