Coupled cluster theory for high spin, open shell reference wave functions (vol 99, pg 5219, 1993)

被引:638
作者
Knowles, PJ [1 ]
Hampel, C
Werner, HJ
机构
[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England
[2] Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany
关键词
D O I
10.1063/1.480886
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
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页码:3106 / +
页数:2
相关论文
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[2]   COUPLED-CLUSTER THEORY FOR HIGH-SPIN, OPEN-SHELL REFERENCE WAVE-FUNCTIONS [J].
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JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (07) :5219-5227
[3]   SPIN ADAPTED RESTRICTED HARTREE-FOCK REFERENCE COUPLED-CLUSTER THEORY FOR OPEN-SHELL SYSTEMS [J].
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JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (05) :3706-3716
[4]   Spin-restricted open-shell coupled-cluster theory [J].
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JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (21) :9028-9038