𝔖 Bobbio Scriptorium
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Unrestricted Hartree-Fock approximation of the extended emery model

✍ Scribed by W. Essl; E. Sigmund


Publisher
Springer
Year
1996
Tongue
English
Weight
320 KB
Volume
9
Category
Article
ISSN
0896-1107

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The electronic structures of biradicals
✍ Kizashi Yamaguchi πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 523 KB

The electronic structures of bi.rsdica!s are investigated by the unrestricted h'~trec-Fock (UHF) method and explained in terms of spin density wave (SDW) orbitals. The blrodiclii characters arc calculated by the USC of the occupation numbers of ?hl: natural orbit& in the SDW configuration. The resul