Approximations to Self-Consistent Field Molecular Wavefunctions
Unparameterized and parameterized versions are outlined of a new method for approximating self-consistent field wavefunctions from first principles at the minimum basis set level for complex molecules containing hydrogen and first-row atoms. The Hartree-Fock self-consistent field equations for close...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
1972
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC426528/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16591968/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.69.3.652 |
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