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

A. V. Zaitsevskii*, L. V. Skripnikov, A. V. Kudrin, A. V. Oleinichenko, E. Eliav, A. V. Stolyarov

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)451-456
Number of pages6
JournalOptics and Spectroscopy (English translation of Optika i Spektroskopiya)
Volume124
Issue number4
DOIs
StatePublished - 1 Apr 2018

Funding

FundersFunder number
Russian Foundation for Basic Research16-32-60013 mol_a_dk
Russian Science Foundation14-31-00022

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