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Hypervirial theorems and symmetry (1979)

Epstein, Saul T.

Springer

Theoretical chemistry accounts 52 (1979), S. 89-91

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ISSN: 1432-2234

Keywords: Hypervirial theorem ; Symmetry

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract It is pointed out that to ensure that an optimal variational wave function Ψ having a certain symmetry satisfies the hypervirial theorem forW, it is sufficient thatiSWΨ, whereS is the projector onto the symmetry type in question, be a possible variation of Ψ. Application is made to the tensor hypervirial theorem for atoms.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00581704

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