Relativistic all-order and multiconfiguration Hartree-Fock calculations of the 4d-4f energy separation in Li I
Journal Article
·
· Physical Review. A
- Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716 (United States)
We present a calculation of the 4d-4f energy separation in Li I using two advanced techniques in atomic structure theory, namely, the relativistic all-order method and the multiconfiguration Hartree-Fock (MCHF) method. The accuracy of our calculations was investigated by conducting a third-order many-body perturbation theory calculation that allowed us to evaluate the importance of fourth- and higher-order corrections. A large-scale MCHF calculation was performed using the active space method and the core-polarization approximation. The obtained results provide an important test of these methods against each other and are shown to agree with the most accurate available experimental data.
- OSTI ID:
- 21028110
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 76; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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