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...
Zapisane w:
| Wydane w: | Proc Natl Acad Sci U S A |
|---|---|
| Główni autorzy: | , |
| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
National Academy of Sciences
1972
|
| Hasła przedmiotowe: | |
| Dostęp online: | 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 |
| Etykiety: |
Nie ma etykietki, Dołącz pierwszą etykiete!
|