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
Volume124
Issue number4
DOIs
StatePublished - Apr 2018

    Research areas

  • CHEMISTRY, LIFETIMES, STATES, CAF

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics

ID: 33132455