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Comparison between Hartree-Fock and Thomas-Fermi calculations using effective interactions

✍ Scribed by R.J. Lombard

Book ID
113334898
Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
224 KB
Volume
32
Category
Article
ISSN
0370-2693

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πŸ“œ SIMILAR VOLUMES

Comparison between spin restricted and u
Comparison between spin restricted and unrestricted post-Hartreeβ€”Fock calculations of effective exchange integrals in Ising and Heisenberg models
✍ 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