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On the generalized Brillouin theorem for spin projected wave functions

✍ Scribed by I. Mayer


Book ID
113000013
Publisher
Springer-Verlag
Year
1973
Weight
194 KB
Volume
34
Category
Article
ISSN
0001-6705

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The virial theorem for molecules is shown to have two different forms, one employing the energy gradient the other involving the Hellmann-Feynman force. While the former VT can be fulfilled by a uniform scaling of the basis set, the latter cannot be satisfied in certain basis sets, and can give unre