Comment on "On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy" [J Chem Phys 104, 8821 (1996)]

被引：94

作者：

Szalewicz, K ^{[1
]}

Jeziorski, B

机构：

[1] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA

[2] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA

[3] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 109卷 / 03期

关键词：

D O I：

10.1063/1.476667

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：

In a recent communication [J. Chem. Phys. 104, 88821 (1996)], Xantheas argued that the omission of the fragment relaxation energy terms introduces errors in the estimation of the basis set superposition error (BSSE) correction to the intermolecular interaction energy. It is shown that this conclusion is unwarranted and results from an application of an inappropriate definition of the interaction energy.© 1998 American Institute of Physics.

引用

页码：1198 / 1200

页数：3

共 19 条

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