Digitale Medien
Springer
Theoretical chemistry accounts
52 (1979), S. 89-91
ISSN:
1432-2234
Schlagwort(e):
Hypervirial theorem
;
Symmetry
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
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.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00581704
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