Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems
| Contribuinte(s) |
University of Helsinki, Department of Physics (-2009) University of Helsinki, Department of Chemistry |
|---|---|
| Data(s) |
2011
|
| Formato |
9 |
| Identificador |
http://hdl.handle.net/10138/27396 0021-9606 |
| Idioma(s) |
eng |
| Publicador |
American Institute of Physics |
| Relação |
Journal of Chemical Physics |
| Fonte |
Send , R , Kaila , V R I & Sundholm , D 2011 , ' Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems ' Journal of Chemical Physics , vol 134 , no. 21 , pp. 214114 . , 10.1063/1.3596729 |
| Palavras-Chave | #GAUSSIAN-BASIS SETS #ZETA-VALENCE QUALITY #EXCITED-STATES #CORRELATED CALCULATIONS #IDENTITY APPROXIMATION #VISUAL EXCITATION #ORBITAL SPACE #FROZEN CORE #MODEL CC2 #DENSITY #114 Physical sciences |
| Tipo |
A1 Refereed journal article info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
