Enviar artigo por via de e-mail Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method
- Autores: Zaitsevskii A.V.1,2, Skripnikov L.V.1,3, Kudrin A.V.2, Oleinichenko A.V.1,2, Eliav E.4, Stolyarov A.V.2
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Afiliações:
- Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre “Kurchatov Institute,”
- Moscow State University
- St. Petersburg State University
- Tel Aviv University
- Edição: Volume 124, Nº 4 (2018)
- Páginas: 451-456
- Seção: Spectroscopy of Atoms and Molecules
- URL: https://bakhtiniada.ru/0030-400X/article/view/165665
- DOI: https://doi.org/10.1134/S0030400X18040215
- ID: 165665
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Resumo
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.
Sobre autores
A. Zaitsevskii
Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre “Kurchatov Institute,”; Moscow State University
Autor responsável pela correspondência
Email: zaitsevskii_av@pnpi.nrcki.ru
Rússia, 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
Rússia, Gatchina, Leningrad oblast, 188300; St. Petersburg, 199034
A. Kudrin
Moscow State University
Email: zaitsevskii_av@pnpi.nrcki.ru
Rússia, 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
Rússia, Gatchina, Leningrad oblast, 188300; Moscow, 119991
E. Eliav
Tel Aviv University
Email: zaitsevskii_av@pnpi.nrcki.ru
Israel, Tel Aviv, 69978
A. Stolyarov
Moscow State University
Email: zaitsevskii_av@pnpi.nrcki.ru
Rússia, Moscow, 119991
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