QUANTUM MOLECULAR INTERPRETATION OF ABSORPTION-SPECTRA OF SMALL ALKALI-METAL CLUSTERS

被引：9

作者：

BONACICKOUTECKY, V ^{[1
]}

FANTUCCI, P ^{[1
]}

GAUS, J ^{[1
]}

KOUTECKY, J ^{[1
]}

机构：

[1] UNIV MILANO,DIPARTIMENTO CHIM INORGAN & MET,CTR CNR,I-20133 MILAN,ITALY

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 19卷 / 1-4期

关键词：

D O I：

10.1007/BF01448250

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The ab initio CI study of excited states of alkali metal clusters accounts for spectroscopical patterns obtained from the photodepletion spectra of the neutral or cationic species, predicts the excitation energies and transition intensities in the complete agreement with the measured quantities and permits an assignment of the cluster structures. The calculated optical spectra for various clusters with 4 and 8 valence electrons are compared: Na4, Li4, LiNa3; Na8 and Na9+. A molecular interpretation of the rich spectra of tetramers as well as of the dominant intense transitions located at approximately 2.5 - 2.7 eV in the case of Na8 and Na9+ with the weak fine structure shifted to the red is given.

引用

页码：37 / 41

页数：5