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Charge densities obtained from statistical mechanics

✍ Scribed by G. Ripka

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
102 KB
Volume
358
Category
Article
ISSN
0375-9474

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πŸ“œ SIMILAR VOLUMES

Methods for improving spin densities obt
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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.

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