Local Correlation: Implementation and Application to Molecular Response Properties
One of the most promising methods for surmounting the high-degree polynomial scaling wall associated with electron correlating wave function methods is the local correlation technique of Pulay and Saebø. They have proposed using a set of localized occupied and virtual orbitals free of the...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Others |
| Published: |
Virginia Tech
2014
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10919/27004 http://scholar.lib.vt.edu/theses/available/etd-04192006-114340/ |