Yüklüyor......
Efficient Implementation of the Pair Atomic Resolution of the Identity Approximation for Exact Exchange for Hybrid and Range-Separated Density Functionals
[Image: see text] An efficient new molecular orbital (MO) basis algorithm is reported implementing the pair atomic resolution of the identity approximation (PARI) to evaluate the exact exchange contribution (K) to self-consistent field methods, such as hybrid and range-separated hybrid density funct...
Kaydedildi:
| Yayımlandı: | J Chem Theory Comput |
|---|---|
| Asıl Yazarlar: | , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
American
Chemical Society
2014
|
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4325599/ https://ncbi.nlm.nih.gov/pubmed/25691831 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5008586 |
| Etiketler: |
Etiketle
Etiket eklenmemiş, İlk siz ekleyin!
|