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Choice of the constraining operator in the constrained hartree-fock method

✍ Scribed by G. Holzwarth; T. Yukawa

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
670 KB
Volume
219
Category
Article
ISSN
0375-9474

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πŸ“œ SIMILAR VOLUMES

Method of the orthonormality-constrained
Method of the orthonormality-constrained variation
✍ Tetsuo Morikawa πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 205 KB

A method for carrying out the variation subject to the orthonormality conditions is described, which is an alternative to the method of Lagrange multipliers used for the derivation of the Hartee-Fock equations An application to some types of atomic and molecclar systems is also described.