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Different variants of the Hartree-Fock method in the two-electron problem and their stability

✍ Scribed by M. M. Mestechkin; L. S. Gutyrya


Book ID
112362583
Publisher
Springer
Year
1980
Tongue
English
Weight
545 KB
Volume
16
Category
Article
ISSN
0040-5760

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Negative-energy states in the Diracβ€”Hart
✍ Kenneth G. Dyall πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 493 KB

The effect of omission of two-electron integrals involving basis functions for the small component of the wavefunction on the eigenvalue spectrum in the Dirac-Hartree-Fock problem is studied. From an analysis of the Fock matrix it is shown that omission of these integrals moves the negative-energy s