STABLE AND METASTABLE PHOTOEXCITATIONS OF LINEAR C-6- - THEORETICAL-STUDY

被引：35

作者：

ADAMOWICZ, L

机构：

[1] Department of Chemistry, University of Arizona, Tucson

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 182卷 / 01期

关键词：

D O I：

10.1016/0009-2614(91)80101-3

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：

It is theoretically predicted that there are several stable electronic excitations for the C6- cluster anion, lying below the electron ejection threshold and the photodissociation limit. The relative energies of these states are determined using the first-order correlation orbital method and the coupled-cluster method. In addition to the stable vertical excitations, we also predict some metastable states near the electron ejection level.

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页码：45 / 50

页数：6

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