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Analytical relativistic hartree-fock equations within scalar basis sets

✍ Scribed by Franz Mark; Franz Rosicky


Book ID
107732542
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
410 KB
Volume
74
Category
Article
ISSN
0009-2614

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On the use of Gaussian basis sets to sol
✍ P.J.C. Aerts; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 402 KB

The solutions of the matrix representation of the Dirac equation obtained by expansion in Gaussian basis sets are examined. The basis sets consist of non-relativistically energy-optimized Cartesian Gaussians, properly balanced by a basis set constraint, or a generalized modified [a β€’ p] representati