COUPLED-CLUSTER METHOD FOR AN INCOMPLETE MODEL SPACE

被引：0

作者：

KUCHARSKI, SA

BARTLETT, RJ

机构：

[1] UNIV FLORIDA, QUANTUM THEORY PROJECT, 371 WM HALL, GAINESVILLE, FL 32611 USA

[2] SILESIAN UNIV, INST CHEM, PL-40006 KATOWICE, POLAND

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1992年

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D O I：

暂无

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 coupled-cluster method with multidimensional reference space is studied in the case of the incomplete active space (IAS). The latter was chosen as a subspace of the Hilbert space corresponding to a fixed number of valence particles. Two different approaches for the normalization condition are analyzed. When not imposing intermediate normalization, the cancellation of disconnected terms is proven, ensuring that extensive energies are obtained.

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页码：107 / 115

页数：9

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