A carregar...
Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations
[Image: see text] The domain-based local pair natural orbital (PNO) coupled-cluster DLPNO-CCSD(T) method allows one to perform single point energy calculations for systems with hundreds of atoms while retaining essentially the accuracy of its canonical counterpart, with errors that are typically sma...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2020
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7586325/ https://ncbi.nlm.nih.gov/pubmed/32897712 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00344 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|