期刊
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
卷 109, 期 3, 页码 441-447出版社
WILEY-BLACKWELL
DOI: 10.1002/qua.21822
关键词
HSCC; SU-MRCC; state universal coupled cluster; BWCC; Mk-MRCC
Different Jeziorski-Monkhorst ansatz-based methods are unified according to how to group terms to eliminate the redundancy problem. It is found that some seemingly different methods used to do MRCC are equivalent. It is argued that the various defining equations are not entirely proper, in the sense that the proper residual condition is not satisfied. This may partially rationalize the unsatisfactory performance of the various methods for single reference systems. In contrast, the MRexpT method satisfies the proper residual condition and it is expected that it will outperform other JM ansatz-based methods in single-reference cases. (C) 2008 Wiley Periodicals, Inc. Int J Quantum Chem 109: 441-447, 2009
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据