DELOCALIZED ELECTRONIC STATES IN SMALL CLUSTERS - COMPARISON OF NAN, CUN, AGN, AND AUN CLUSTERS

被引：32

作者：

HANDSCHUH, H ^{[1
]}

CHA, CY ^{[1
]}

MOLLER, H ^{[1
]}

BECHTHOLD, PS ^{[1
]}

GANTEFOR, G ^{[1
]}

EBERHARDT, W ^{[1
]}

机构：

[1] UNIV BIELEFELD, FAK PHYS, D-33615 BIELEFELD, GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 227卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(94)00836-1

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：

Photoelectron spectra of Na(n)-, Cu(n)-, Ag(n)-, and Au(n)- clusters reveal the electronic structure of these particles. The experimental results are compared to the predictions of quantum chemical calculations and of the shell model. The spectra of Ag(n)- allow for a stringent test of both approaches, because most of the observed features are assigned to s-derived orbitals and they also display much sharper features than the alkali data. A qualitative equivalence of the electronic shell model with high-level quantum chemical calculations in terms of the symmetries of the involved single particle orbitals is found for the delocalized states derived from the atomic s-electrons.

引用

页码：496 / 502

页数：7

共 18 条

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