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The extended CC2 model ECC2.
- Source :
-
Molecular Physics . Jul2013, Vol. 111 Issue 9-11, p1109-1118. 10p. - Publication Year :
- 2013
-
Abstract
- We present a size-extensive extension to the CC2 model that avoids the complications with quasi-degeneracies that are present in the CC2 model and related perturbation theory-based approaches. The formulation also provides a consistent model for treating different parts of a molecular system at different levels of electron correlation. Such a subsystem approach leads to large reductions in the computational requirements without compromising the accuracy. In this initial study, we focus on static molecular properties. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00268976
- Volume :
- 111
- Issue :
- 9-11
- Database :
- Academic Search Index
- Journal :
- Molecular Physics
- Publication Type :
- Academic Journal
- Accession number :
- 89571331
- Full Text :
- https://doi.org/10.1080/00268976.2013.798435