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Computation of Large Molecules with the Hartree-Fock Model

The usual way to compute Hartree-Fock type functions for molecules is by an expansion of the one-electron functions (molecular orbitals) in a linear combination of analytical functions (LCAO-MO-SCF, linear combination of atomic orbitals—Molecular Orbital—Self Consistent field). The expansion coeffic...

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Bibliografische gegevens
Hoofdauteur: Clementi, Enrico
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 1972
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC389679/
https://ncbi.nlm.nih.gov/pubmed/16592020
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