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Hartree-like methods in electronic structure theory

✍ Scribed by Frank E. Harris

Book ID
104579279
Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
445 KB
Volume
13
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

We consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one‐electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation‐energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.

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