Single excitations in multi configuration wavefunctions: ground states of the atoms Be to F
- 1 September 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (9) , L237-L239
- https://doi.org/10.1088/0022-3700/6/9/004
Abstract
Wavefunctions for the ground states of the atoms Be to F, consisting of the dominant configuration and selected singly excited configurations, are obtained by a multi configuration method which is based on the generalized Brillouin theorem. Energy lowerings relative to the restricted Hartree-Fock (HF) energy are discussed and compared with maximally-paired HF, unrestricted HF, GF and first-order results. The increasing importance of p-shell correlation is demonstrated.Keywords
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