Extremal electron pairs - Application to electron correlation, especially the R12 method

Authors
Klopper, W Kutzelnigg, W Muller, H Noga, J Vogtner, S
Citation
W. Klopper et al., Extremal electron pairs - Application to electron correlation, especially the R12 method, T CURR CHEM, 203, 1999, pp. 21-42
Citations number
15
Categorie Soggetti
Current Book Contents
Journal title
CORRELATION AND LOCALIZATION → ACNP
ISSN journal
03426793
Volume
203
Year of publication
1999
Pages
21 - 42
Database
ISI
SICI code
0342-6793(1999)203:<21:EEP-AT>2.0.ZU;2-R
Abstract
The concept of extremal electron pairs is discussed in the context of coupl ed-cluster theory and the MP2-R12 method. Using extremal pairs the numerica l stability of R12-methods is considerably improved, which is demonstrated for CCSD(T)-R12 calculations of the molecules F-2, N-2, and Be-2.