期刊
MOLECULAR PHYSICS
卷 108, 期 21-23, 页码 3043-3054出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2010.524169
关键词
coupled cluster theory; multireference cluster Ansatz
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.
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