Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method


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The determination of the matrix elements of single-electron operators for the transitions between electronic states (primarily, the dipole moments of electron transitions) is one of the critical problems in simulating the atomic and molecular spectra. In this study, the efficiency of a simple version of the finite-field method for calculating these values within the Fock-space coupled-cluster theory has been investigated.

作者简介

A. Zaitsevskii

Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre “Kurchatov Institute,”; Moscow State University

编辑信件的主要联系方式.
Email: zaitsevskii_av@pnpi.nrcki.ru
俄罗斯联邦, Gatchina, Leningrad oblast, 188300; Moscow, 119991

L. Skripnikov

Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre “Kurchatov Institute,”; St. Petersburg State University

Email: zaitsevskii_av@pnpi.nrcki.ru
俄罗斯联邦, Gatchina, Leningrad oblast, 188300; St. Petersburg, 199034

A. Kudrin

Moscow State University

Email: zaitsevskii_av@pnpi.nrcki.ru
俄罗斯联邦, Moscow, 119991

A. Oleinichenko

Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre “Kurchatov Institute,”; Moscow State University

Email: zaitsevskii_av@pnpi.nrcki.ru
俄罗斯联邦, Gatchina, Leningrad oblast, 188300; Moscow, 119991

E. Eliav

Tel Aviv University

Email: zaitsevskii_av@pnpi.nrcki.ru
以色列, Tel Aviv, 69978

A. Stolyarov

Moscow State University

Email: zaitsevskii_av@pnpi.nrcki.ru
俄罗斯联邦, Moscow, 119991

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