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Perturbation theory within the variation method

✍ Scribed by Saul T. Epstein

Book ID
104579047
Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
189 KB
Volume
11
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Some of Moccia's formulas (Int. J. Quant. Chem. 8, 293 (1974)) for corrections to β€œnot completely optimized variational parameters” are compared with those resulting from a perturbation theory analysis. It is not possible to choose the zero‐order Hamiltonian (at least not in any simple way) so as to get exact agreement, but one choice does come close.

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