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Virtual Orbitals in Hartree-Fock Theory

✍ Scribed by Huzinaga, Sigeru; Arnau, Catalina

Book ID
121365414
Publisher
The American Physical Society
Year
1970
Tongue
English
Weight
192 KB
Volume
1
Category
Article
ISSN
1050-2947

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πŸ“œ SIMILAR VOLUMES

Multi-configuration Hartree-Fock theory
Multi-configuration Hartree-Fock theory with non-orthogonal orbitals
✍ V. Kvasnička; V. Laurinc πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 413 KB

## X general version of the multi-configuration Hartree--Fock method is elaborated. An N-electron wavefunction is approximated as a linear combination of configurations which are constructed from space orbit& which are divided into disjoint subsets, with elements of the same subset being kept orth