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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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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
1972
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC389679/ https://ncbi.nlm.nih.gov/pubmed/16592020 |
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