COUPLED CLUSTER APPROACH FOR STATIC PROPERTIES

被引:0
|
作者
PAL, S
GHOSE, KB
机构
来源
CURRENT SCIENCE | 1992年 / 63卷 / 11期
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暂无
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
We review the coupled cluster (CC) methods for calculating static properties for closed and open-shell systems. In the response-type formulations, properties of various orders are derived as energy derivatives of corresponding orders. Among various CC response versions, the stationary formulation has the important advantage of an inbuilt (2n+1) rule by which energy derivatives of higher order can be calculated using lower order derivative amplitudes. In this review we stress the importance and the difficulty of using a stationary formulation. We also discuss the first multideterminantal model space based CC response theory.
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页码:667 / 677
页数:11
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