DEGENERACY AND COUPLED-CLUSTER APPROACHES

被引:0
|
作者
PALDUS, J
TAKAHASHI, M
CHO, BWH
机构
[1] UNIV WATERLOO,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
[2] UNIV WATERLOO,GWC,WATERLOO N2L 3G1,ONTARIO,CANADA
[3] UNIV WATERLOO,FAC MATH,NATL FDN CANC RES,WATERLOO N2L 3G1,ONTARIO,CANADA
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:237 / 244
页数:8
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