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Some comments on the treatment of symmetry properties in perturbation theory

✍ Scribed by Per-Olov LÖwdin

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
590 KB
Volume
2
Category
Article
ISSN
0020-7608

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## Abstract A method for the determination of the symmetry of first‐order vectors in Hartree–Fock perturbation theory is developed. This leads to the definition of symmetry‐adapted basis vectors to be employed at first order in the perturbation. It is shown that computer time can be saved, to some