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Gaussian basis for the Dirac-Fock discrete basis expansion calculations

✍ Scribed by Yasuyuki Ishikawa; Reinaldo Baretty; Robert C. Binning Jr.


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
430 KB
Volume
28
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES


On the optimization of gaussian basis se
✍ P.J.C. Aerts; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 612 KB

Gaussian basis sets for atomic one-electron systems have been optimtzed by straight mmtmr~atron of the electronic ground-state eigenvalue of the finite basis set representation of the Dirac operator, using the "kinetic energy balance" procedure in conjunction with appropriate additional variational