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Relativistic Wood-Boring ab initio model potential calculations on the platinum atom
- Source :
- Chemical Physics Letters. 236:510-515
- Publication Year :
- 1995
- Publisher :
- Elsevier BV, 1995.
-
Abstract
- 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) 10 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-component Dirac-Hartree-Fock plus configuration-interaction calculations, are of the quality required of a relativistic effective core potential method which includes spin-orbit effects.
Details
- ISSN :
- 00092614
- Volume :
- 236
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........b9760bf81059ba5366eec31c802164e9