OPTIMUM STRUCTURES AND VIBRATIONAL FREQUENCIES OF (SIC)2 CLUSTERS

被引：21

作者：

FITZGERALD, GB ^{[1
]}

BARTLETT, RJ ^{[1
]}

机构：

[1] QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1990年 / 38卷 / 02期

关键词：

D O I：

10.1002/qua.560380207

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：

(SiC)2 clusters occupy an intermediate place between the well‐studied clusters Cn and Sin. Of the five closed‐shell isomers investigated in this paper, the rhombic form is found to be the lowest in energy at the MBPT(4) level. Analytic SCF and MBPT(2) second derivatives are used to predict vibrational frequencies for the isomers. Copyright © 1990 John Wiley & Sons, Inc.

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页码：121 / 128

页数：8

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