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Direct calculation of transition matrix elements in relativistic coupled cluster theory
Russian version
Oleynichenko A. V. 1,2, Zaitsevskii A.1,3, Kondratyev S. V.3, Eliav E.4
1Konstantinov Petersburg Nuclear Physics Institute, National Research Center Kurchatov Institute, Gatchina, Russia
2Moscow Institute of Physics and Technology (National Research University), Dolgoprudny, Moscow Region, Russia
3Lomonosov Moscow State University, Moscow, Russia
4Tel-Aviv University, Tel-Aviv, Israel
Email: oleynichenko_av@pnpi.nrcki.ru, zaitsevskii_av@pnpi.nrcki.ru, icewolfer193@gmail.com, ephraim@tauex.tau.ac.il
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A procedure for calculating transition matrix elements of one-electron property operators in many-electron systems within the relativistic Fock space coupled cluster theory is implemented. The procedure implies constructing an effective property operator accurate up to the second order in cluster amplitudes and ensures connectivity of its diagrammatic representation and exact size-consistency. The results of pilot calculations of electronic transition dipole moments between low-lying states and excited-state radiative lifetimes for Sr and Ra atoms are presented. Keywords: Relativistic coupled cluster theory, transition dipole moments, radiative lifetimes, generalized relativistic pseudopotentials.
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