Configuration-based multi-reference second order perturbation theory

	Configuration-based multi-reference second order perturbation theory
	Wang, YB ; Gan, ZT ; Su, KH ; Wen, ZY
刊名	SCIENCE IN CHINA SERIES B-CHEMISTRY
	2000-12-01
卷号	43 页码:567-575
关键词	perturbation theory multi-reference configuration interaction
ISSN号	1006-9291
英文摘要	Various configuration-based multi-reference second order perturbation approaches were investigated and a new scheme averting intruder states was suggested. The codes based on these schemes were tested by example calculations.
WOS关键词	MULTIREFERENCE MOLLER-PLESSET ; SPECTRA
WOS研究方向	Chemistry
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000166664000002
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/46879]
专题	中国科学院近代物理研究所
通讯作者	Wen, ZY
作者单位	1.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 2.Northwestern Polytech Univ, Dept Chem Engn, Xian 710072, Peoples R China
推荐引用方式 GB/T 7714	Wang, YB,Gan, ZT,Su, KH,et al. Configuration-based multi-reference second order perturbation theory[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2000,43:567-575.
APA	Wang, YB,Gan, ZT,Su, KH,&Wen, ZY.(2000).Configuration-based multi-reference second order perturbation theory.SCIENCE IN CHINA SERIES B-CHEMISTRY,43,567-575.
MLA	Wang, YB,et al."Configuration-based multi-reference second order perturbation theory".SCIENCE IN CHINA SERIES B-CHEMISTRY 43(2000):567-575.