ELECTRONIC-STRUCTURES AND PHOTOELECTRON-SPECTRA OF SI3- AND SI4-

被引：131

作者：

ROHLFING, CM ^{[1
]}

RAGHAVACHARI, K ^{[1
]}

机构：

[1] AT&T BELL LABS,MURRAY HILL,NJ 07974

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 03期

关键词：

D O I：

10.1063/1.462062

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：

Vibrationally resolved photoelectron spectra of Si3 and Si4-, recently reported by Kitsopoulos, Chick, Weaver, and Neumark, are interpreted using ab initio quantum chemical calculations of the ground and excited electronic states of the corresponding neutral clusters. The calculated electron affinities as well as the low-lying excitation energies agree within 0.1-0.2 eV of the experimental values, thus confirming the theoretically predicted structures of neutral and anionic Si3 and Si4 reported previously.

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页码：2114 / 2117

页数：4

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