A carregar...
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee–Yang–Parr correlation functional) extended functional for density functional theory to significa...
Na minha lista:
| Main Authors: | , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2004
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC374194/ https://ncbi.nlm.nih.gov/pubmed/14981235 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0308730100 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|