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Spin polarization and spin delocalization in unrestricted hartree-fock method

✍ Scribed by Y. Yonezawa; H. Nakatsuji; T. Kawamura; H. Kato

Book ID
107731165
Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
294 KB
Volume
2
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Methods for improving spin densities obt
Methods for improving spin densities obtained from unrestricted Hartreeβ€”Fock wavefunctions
✍ A.T. Amos; D.R. Beck; I.L. Cooper πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 310 KB

Various methods are suggested for improving the spin densities obtained from unrestricted Hartree-Fock wavefunctions. One is purely empirical and is easy to apply; the others are non-empirical and, while rather more difficult to apply, nevertheless require relatively little computation.