COMPUTATIONAL INVESTIGATION OF INTERNAL EXCITATION IN NONREACTIVE MOLECULAR COLLISIONS - RESONANCES IN ROTATIONAL EXCITATION

被引:79
作者
LEVINE, RD
JOHNSON, BR
MUCKERMAN, JT
BERNSTEIN, RB
机构
[1] Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin, Madison, WI
[2] Department of Physical Chemistry, Hebrew University, Jersualem
关键词
D O I
10.1063/1.1669859
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
Resonances in subexcitation molecular collisions are demonstrated by exact numerical solution of the close-coupled integral equations for rotational excitation including closed channels in the total-angularmomentum representation. These results serve as a reference for comparing various approximate theoretical predictions. In particular, the limitations of the adiabatic approximation are exhibited. The resonance energies can be essentially predicted by a best local" potential approximation. The resonance line shapes are fitted by a simple Breit-Wigner form."
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页码:56 / +
页数:1
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