86 citations · 462 across the 31 of their papers we have counts for
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Theoretical molecular spectroscopy of actinide compounds: The ThO molecule
Andrei V. Zaitsevskii, Alexander V. Oleynichenko, Ephraim Eliav
The tiny-core generalized (Gatchina) relativistic pseudopotential (GRPP) model provides an accurate approximation for many-electron Hamiltonians of molecules containing heavy atoms…
Radium-containing molecular cations amenable for laser cooling
Timur Isaev, Dmitrii Makinski, Andrei Zaitsevski
Recently a new wave of interest to spectroscopy of radioactive compounds has raised due to successful applications of the new experimental ISOL/CRIS technique to optical spectrosco…
Projection population analysis for molecules with heavy and superheavy atoms
Alexander V. Oleynichenko, Andréi V. Zaitsevskii
A new iterative version of population projection analysis is formulated and applied to determine relativistic effective atomic configurations of superheavy elements Cn and Fl and t…
Global and local approaches to population analysis: bonding patterns in superheavy element compounds
Alexander V. Oleynichenko, Andréi Zaitsevskii, Stepan Romanov +2
Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homologues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen ar…
Ab initio study and assignment of electronic states in molecular RaCl
T. A. Isaev, A. V. Zaitsevskii, A. Oleynichenko +5
Radium compounds have attracted recently considerable attention due to both development of experimental techniques for high-precision laser spectroscopy of molecules with short-liv…
Adsorption of the astatine species on gold surface: a relativistic density functional theory study
Yuriy Demidov, Andrei Zaitsevskii
We report on first-principle based studies of the adsorption interaction of astatine species on a gold surface. These studies are aimed primarily at the support and interpretation…
Laser-coolable polyatomic molecules with heavy nuclei
T. A. Isaev, A. V. Zaitsevskii, E. Eliav
Recently a number of diatomic and polyatomics molecules has been identified as a prospective systems for Doppler/Sisyphus cooling. Doppler/Sisyphus cooling allows to decrease the k…
The generalized relativistic effective core potential calculations of the adiabatic potential curve and spectroscopic constants for the ground electronic state of the Ca2
N. S. Mosyagin, A. N. Petrov, A. V. Titov +1
The potential curve, dissociation energy, equilibrium internuclear distance, and spectroscopic constants for the ground state of the Ca2 molecule are calculated with the help of th…
Interaction of copernicium with gold: Assessment of applicability of simple density functional theories
Andréi V. Zaitsevskii, Anatoly V. Titov
Interactions of Cn (element 112) atoms with small Au clusters are studied using accurate ab initio scalar relativistic coupled cluster method for correlation treatment and two-comp…