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A comparative analysis of pair equations for the H2 molecule

✍ Scribed by Ludwik Adamowicz

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
268 KB
Volume
13
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The perturbation contributions to the correlation energy of the H~2~ molecule are analyzed. This analysis is based on the computer solutions of several two‐electron equations in the Gaussian geminal basis set. The pair equations differ by the choice of the two‐electron interaction potential which may result from distinct infinite summations of correlation diagrams in Rayleigh–SchrΓΆdinger perturbation theory.

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