Multireference coupled-cluster Ansatz

被引：49
作者：
Jeziorski, Bogumil [1 ]
机构：
[1] Univ Warsaw, Fac Chem, PL-02093 Warsaw, Poland
来源：
MOLECULAR PHYSICS | 2010年 / 108卷 / 21-23期
关键词：
coupled cluster theory; multireference cluster Ansatz; BODY PERTURBATION-THEORY; ADAPTED STATE-UNIVERSAL; CONNECTED TRIPLE EXCITATIONS; QUADRUPLY EXCITED CLUSTERS; WAVE-FUNCTION ANSATZ; MANY-ELECTRON THEORY; HILBERT-SPACE; FOCK-SPACE; BRILLOUIN-WIGNER; QUANTUM-CHEMISTRY;
D O I：
10.1080/00268976.2010.524169
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：
The origin of the multireference coupled cluster Ansatz for the wave function and the wave operator, discovered in the Quantum Theory Project in 1981, is presented from the historical perspective. Various methods of obtaining the cluster amplitudes - both state-universal and state-selective - are critically reviewed and further prospects of using the multireference coupled cluster Ansatz in electronic structure theory are briefly discussed.
引用
收藏
页码：3043 / 3054
页数：12
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