A carregar...

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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Pauncz, Ruben, Chen, Min-Bo, Parr, Robert G.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 1982
Assuntos:
Acesso em linha: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: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!