Ground state and vertical electron detachment energies of icosahedral and D5h Al13-

被引：39

作者：

Dolgounitcheva, O ^{[1
]}

Zakrzewski, VG ^{[1
]}

Ortiz, JV ^{[1
]}

机构：

[1] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 24期

关键词：

D O I：

10.1063/1.480440

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：

Al-13(-) clusters are studied with ab initio, many-body methods. Coupled-cluster theory places the icosahedral structure 0.54 eV lower than the D-5h isomer. Electron propagator predictions on the photoelectron spectrum of Al-13(-) are in close agreement with the observed bands and attribute shakeup character to features at higher energy. (C) 1999 American Institute of Physics. [S0021-9606(99)01848-6].

引用

页码：10762 / 10765

页数：4

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