| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374461 | Chemical Physics | 2012 | 6 Pages |
Abstract
⺠The planar H4 molecular system is accurately studied here. ⺠All the conformations are calculated with the G-particle-hole Hypervirial method GHV. ⺠The GHV determines a correlation matrix, instead of the wave-function. ⺠It is found that the GHV accuracy is higher than that of the SDCI. ⺠The performance of the GHV method is comparable to the CCSD.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Carmela Valdemoro, Diego R. Alcoba, Ofelia B. Oña, Luis M. Tel, Encarnación Pérez-Romero, Josep M. Oliva,