Configuration-based multi-reference second order perturbation theory

Authors
Wang, YB Gan, ZT Su, KH Wen, ZY
Citation
Yb. Wang et al., Configuration-based multi-reference second order perturbation theory, SCI CHINA B, 43(6), 2000, pp. 567-575
Citations number
20
Categorie Soggetti
Chemistry
Journal title
SCIENCE IN CHINA SERIES B-CHEMISTRY
ISSN journal
1001652X → ACNP
Volume
43
Issue
6
Year of publication
2000
Pages
567 - 575
Database
ISI
SICI code
1001-652X(200012)43:6<567:CMSOPT>2.0.ZU;2-9
Abstract
Various configuration-based multi-reference second order perturbation appro aches were investigated and a new scheme averting intruder states was sugge sted. The codes based on these schemes were tested by example calculations.