✦ LIBER ✦

Perturbation and SCF calculations for excited states

✍ Scribed by Tse-Chiang Chang

Publisher: John Wiley and Sons
Year: 1980
Tongue: English
Weight: 269 KB
Volume: 18
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560180109

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✦ Synopsis

Abstract

One can treat the linear variation calculation by the perturbation expansion; on the other hand, one can also relate the perturbed wave function for the __m__th state to the __m__th eigenvector and justify the upper bound nature of the perturbation calculations for excited states. One can also associate a special type linear variation wave function to the SCF calculation. The upper bound nature of the excited‐state SCF calculation can then be accessed by the help of this special wave function.

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