Circulant orbitals and the electron-correlation problem
Circulant, as well as canonical, orbitals are used in the different orbitals for different spins method for treating electron correlation. Circulant orbitals provide a theoretical justification for the use of a single parameter, even when the canonical orbitals have widely different orbital energies...
Enregistré dans:
| Publié dans: | Proc Natl Acad Sci U S A |
|---|---|
| Auteurs principaux: | , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
National Academy of Sciences
1982
|
| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC345816/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16593152/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.79.2.705 |
| Tags: |
Pas de tags, Soyez le premier à ajouter un tag!
|