Odd-even alternation of global hardnesses in the Nan (n=2-9) clusters

被引：0

作者：

Mineva, T ^{[1
]}

Russo, N ^{[1
]}

Toscano, M ^{[1
]}

机构：

[1] Univ Calabria, Dipartimento Chim, I-87030 Arcavacata Di Rende, CS, Italy

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2000年 / 80卷 / 02期

关键词：

hardness; clusters; alkali; DFT;

D O I：

暂无

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：

Ionization potentials, electron affinities, sind global hardnesses have been computed for clusters of sodium ranging from two to nine atoms, at nonlocal density functional level, with the aim to verify the occurrence of the odd-even alternation rule. The hardnesses, as well as the ionization potentials and the electron affinities, assume alternatively high and low values in correspondence of closed- and open;shell systems, respectively. (C) 2000 John Wiley & Sons, Inc.

引用

页码：105 / 109

页数：5

共 25 条

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