ONE-ELECTRON MODEL POTENTIAL CALCULATIONS OF VANDERWAALS FORCES .1. HE-STAR (21S, 23S) + NE, AR, KR, XE

被引:68
作者
SISKA, PE
机构
[1] Department of Chemistry, University of Pittsburgh, Pittsburgh
关键词
ARGON; ATOM−ATOM COLLISIONS; HELIUM; KRYPTON; METASTABLE STATES; NEON; POTENTIAL ENERGY; VAN DER WAALS FORCES; XENON;
D O I
10.1063/1.438164
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
A simple model which treats only the outer s electron on He* explicitly is shown to account for the main features and trends in the potential energy curves derived from scattering measurements on the title systems. The calculations demonstrate the importance of hybridization of the 2s orbital (2s–2pσ mixing) in determining the van der Waals forces, confirming earlier conclusions based on all-electron ab initio studies and experimental findings on He* (2 1S) systems. © 1979, American Institute of Physics. All rights reserved.
引用
收藏
页码:3942 / 3950
页数:9
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