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Restricted and unrestricted hartree-fock calculations for atomic lithium

✍ Scribed by R.K Nesbet; R.E Watson


Publisher
Elsevier Science
Year
1960
Tongue
English
Weight
625 KB
Volume
9
Category
Article
ISSN
0003-4916

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πŸ“œ SIMILAR VOLUMES


Restricted hartreeβ€”fock calculations on
✍ Gottfried Olbrich πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 273 KB

## Instrtut fur StralderrcJ~etme ml Ala_\ Piarlck Itrstltut jiir h'oliletlforsc~ilo~g, 04330 ~h~llzerrn a d Ruler, West Gernlarly Rccetvcd 31 March 1980 Ab motto calculattons usmg basts sets of double-zeta qualtty m the valence regton were performed for GeH2 and SnH2 rn the 'Al and 3B1 states The

Comparison between spin restricted and u
✍ K. Yamaguchi; M. Okumura; W. Mori; J. Maki; K. Takada; T. Noro; K. Tanaka πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 797 KB

Spin-restricted and unrestricted post-Hartree-Fock calculations were carried out for clusters of triplet methylene and nitroxide radicals. The UHF-based methods such as UMP and QCISD followed by approximate spin projection provide reasonable energy differences between the high-and low-spin states of