Lanean...
Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems
We investigate how the reduction of the virtual space affects coupled-cluster excitation energies at the approximate singles and doubles coupled-cluster level (CC2). In this reduced-virtual-space (RVS) approach, all virtual orbitals above a certain energy threshold are omitted in the correlation cal...
Gorde:
| Egile Nagusiak: | , , |
|---|---|
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
American Institute of Physics
2011
|
| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3133567/ https://ncbi.nlm.nih.gov/pubmed/21663351 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3596729 |
| Etiketak: |
Etiketa erantsi
Etiketarik gabe, Izan zaitez lehena erregistro honi etiketa jartzen!
|