Wordt geladen...
Describing strong correlation with fractional-spin correction in density functional theory
An effective fractional-spin correction is developed to describe static/strong correlation in density functional theory. Combined with the fractional-charge correction from recently developed localized orbital scaling correction (LOSC), a functional, the fractional-spin LOSC (FSLOSC), is proposed. F...
Bewaard in:
| Gepubliceerd in: | Proc Natl Acad Sci U S A |
|---|---|
| Hoofdauteurs: | , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
National Academy of Sciences
2018
|
| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6166809/ https://ncbi.nlm.nih.gov/pubmed/30201706 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1807095115 |
| Tags: |
Voeg label toe
Geen labels, Wees de eerste die dit record labelt!
|