Multiconfiguration-Hartree-Fock calculations for the electron affinity of boron
- 1 June 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 51 (6) , 4611-4616
- https://doi.org/10.1103/physreva.51.4611
Abstract
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.Keywords
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