Multiconfiguration-Hartree-Fock calculations for the electron affinity of boron
- Computer Science Department, Box 1679 B, Vanderbilt University, Nashville, Tennessee 37235 (United States)
- Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600 (Lithuania)
Systematic multiconfiguration-Hartree-Fock procedures are applied to the study of the electron affinity of boron. For a valence correlation calculation, an electron affinity of 273.2(2) meV is obtained, which is reduced by 1.1 meV by a relativistic correction. Core polarization and core rearrangement were found to increase the electron affinity to 279.5(20) meV. The latter agrees well with the experimental value of 277(10) meV. Results are compared also with other theories.
- OSTI ID:
- 55114
- Journal Information:
- Physical Review A, Journal Name: Physical Review A Journal Issue: 6 Vol. 51; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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