Ab initio results for V I and Cr I
- 1 August 1976
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 9 (11) , 1841-1848
- https://doi.org/10.1088/0022-3700/9/11/010
Abstract
Ab initio results (obtained by means of a numerical, multi-configuration Hartree-Fock procedure) are reported for the highest spin states of 3dn4s and (3d+4s)n4p in neutral V and Cr. The importance of allowing the 3d orbital in 3dn4p to differ from that in 3dn-14s4p is demonstrated, particularly in Cr where the two configurations are nearly degenerate. More extensive correlation studies are reported for Cr. Energy differences and oscillator strengths are in fair agreement but the dominant component of z7P, usually designated 3d54p, is the 3d44s4p configuration.Keywords
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