Correlation and the 5F–3F energy separation in Ti
- 15 February 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (4), 1934-1937
- https://doi.org/10.1063/1.443166
Abstract
Multiconfiguration Hartree–Fock studies of the 4s3d3 5F– 4s23d2 3F energy separation in titanium are reported. The f‐orbital basis is shown to be important as well as the LS dependent relativistic effects.Keywords
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