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A multi-configuration Hartree-Fock program with improved stability

✍ Scribed by Charlotte Froese Fischer


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
538 KB
Volume
4
Category
Article
ISSN
0010-4655

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Multi-configuration Hartree-Fock theory
✍ 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