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A generalization of the virial theorem for strongly singular potentials

✍ Scribed by Gesztesy, F.; Pittner, L.


Book ID
122507494
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
626 KB
Volume
18
Category
Article
ISSN
0034-4877

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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