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Constrained Hartree-Fock and minimization of the variance

✍ Scribed by Charzewski, C. ;Dreizler, R. M.


Publisher
Springer
Year
1976
Tongue
English
Weight
384 KB
Volume
278
Category
Article
ISSN
1434-601X

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In this study it is demonstrated that STO Slater-type orbital basis sets are particularly well suited to pseudospectral Hartree᎐Fock Ž . calculations. The reduction of two-electron integrals, to ones that are at worst equivalent to a one-electron integral over three centers, eliminates the need for