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


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Abstract

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.

About the authors

A. V. Zaitsevskii

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

Author for correspondence.
Email: zaitsevskii_av@pnpi.nrcki.ru
Russian Federation, Gatchina, Leningrad oblast, 188300; Moscow, 119991

L. V. 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
Russian Federation, Gatchina, Leningrad oblast, 188300; St. Petersburg, 199034

A. V. Kudrin

Moscow State University

Email: zaitsevskii_av@pnpi.nrcki.ru
Russian Federation, Moscow, 119991

A. V. 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
Russian Federation, Gatchina, Leningrad oblast, 188300; Moscow, 119991

E. Eliav

Tel Aviv University

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

A. V. Stolyarov

Moscow State University

Email: zaitsevskii_av@pnpi.nrcki.ru
Russian Federation, Moscow, 119991

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