COUPLED CHANNEL R-MATRIX PROPAGATION METHOD

被引:35
作者
SCHNEIDER, BI
WALKER, RB
机构
[1] Theoretical Division, Los Alamos Scientific Laboratory, Los Alamos
关键词
D O I
10.1063/1.437708
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
Using a Green's function approach, we present an alternate derivation of the R-matrix propagation equations. We also present an extension of the method which employs a basis set expansion for both translational and target motions within each R-matrix sector. This new approach is then investigated in comparison to the original close-coupling approach, studying a model collinear vibrational excitation problem. The new approach allows much larger R-matrix boxes to be used in regions of configuration space where the potential is changing rapidly with the scattering coordinate. © 1979 American Institute of Physics.
引用
收藏
页码:2466 / 2470
页数:5
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