The resonant charge hopping rate in positively charged helium clusters

被引：47

作者：

Halberstadt, N ^{[1
]}

Janda, KC

机构：

[1] Univ Toulouse 3, IRSAMC, LCAR, F-31062 Toulouse, France

[2] CNRS, F-31062 Toulouse, France

[3] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

[4] Univ Calif Irvine, Inst Surface & Interface Sci, Irvine, CA 92697 USA

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 282卷 / 5-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(97)01276-1

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：

We have calculated the cluster size dependence of the time and distance scales for positive charge migration via resonant charge transfer in helium clusters. The calculation employs the Born-Oppenheimer approximation and the approximation that pairs of helium atoms interact independently. The splitting of the (2) Sigma(u)(+)-(2) Sigma(g)(+) valence potential curves for He-2(+) was averaged over the pair distribution functions for He-n, clusters with 20 less than or equal to n less than or equal to 200. The mean time between hops decreases slowly with cluster size from 35 fs for 20-atom clusters to 19 fs for 200-atom clusters. The mean hopping distance is 3.1 Angstrom, independent of cluster size. (C) 1998 Elsevier Science B.V.

引用

页码：409 / 412

页数：4