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Decoupled Hartree—Fock methods. III

✍ Scribed by G. Náray-Szabó

Book ID
112999236
Publisher
Springer-Verlag
Year
1975
Weight
451 KB
Volume
38
Category
Article
ISSN
0001-6705

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📜 SIMILAR VOLUMES

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## Abstract Applying an extended form of the Mulliken approximation and a monopole approximation for the Coulomb integrals the Hartree‐Fock nonorthogonal energy expression is decoupled. Thus, the total energy splits into a sum of one‐electron increments. The increments are minimized directly with r

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