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.
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Original Russian Text © A.V. Zaitsevskii, L.V. Skripnikov, A.V. Kudrin, A.V. Oleinichenko, E. Eliav, A.V. Stolyarov, 2018, published in Optika i Spektroskopiya, 2018, Vol. 124, No. 4, pp. 435–440.
Conference on Precision Atomic–Molecular Spectroscopy, November 13–14, 2017, Petersburg Nuclear Physics Institute, National Research Centre Kurchatov Institute, Gatchina, Russia.
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Zaitsevskii, A.V., Skripnikov, L.V., Kudrin, A.V. et al. Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method. Opt. Spectrosc. 124, 451–456 (2018). https://doi.org/10.1134/S0030400X18040215
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DOI: https://doi.org/10.1134/S0030400X18040215