A carregar...
MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Kohn–Sham density functionals are widely used; however, no currently available exchange–correlation functional can predict all chemical properties with chemical accuracy. Here we report a new functional, called MN15, that has broader accuracy than any previously available one. The properties conside...
Na minha lista:
| Publicado no: | Chem Sci |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2016
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6018516/ https://ncbi.nlm.nih.gov/pubmed/30155154 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc00705h |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|