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Relativistic Wood-Boring ab initio model potential calculations on the platinum atom

✍ Scribed by Marcos Casarrubios; Luis Seijo

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 589 KB
Volume: 236
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00243-w

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✦ Synopsis

The Wood-Boring-based ab initio model potential method, proposed as a means of including spin-orbit interactions on top of the mass-velocity and Darwin scalar relativistic effects considered by the former Cowan-Griffin-based ab initio model potential method, is applied to the calculation of the (5d, 6s) "~ manifold of atomic platinum, which is recognized to be a difficult task for ab initio methods. The results, which are compared with experiment and with four-comF,ment Dirac-Hartree-Fock plus configuration-interaction calculations, are of the quality required of a relativistic effective core potential method which includes spin-orbit effects.

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