Configuration-based multi-reference second order perturbation theory

作     者：王育彬 甘正汀 苏克和 文振翼 

作者机构：Institute of Modern Physics Northwest University Xi'an 710069 China Department of Chemical Engineering Northwestern Polytechnical University Xi'an 710072 China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2000年第43卷第6期

页      面：567-575页

核心收录：

学科分类：0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0702[理学-物理学] 

基　　金：中国科学院资助项目(29773035) 

主　　题：perturbation theory multi-reference configuration interaction. 

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.