REORIENTATION DIFFERENTIAL CROSS-SECTIONS AT HIGH-ENERGY

被引:2
作者
SISAK, M [1 ]
SECREST, D [1 ]
机构
[1] UNIV ILLINOIS,SCH CHEM SCI,URBANA,IL 61801
关键词
D O I
10.1063/1.462509
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
The angular momentum decoupling approximations, used extensively in approximate calculations for complex systems, are evaluated here in extensive comparisons with exact calculations for a heteronuclear system with a moderately large dipole moment at high enough energy that there are many open rotational states. Orientation-dependent differential cross sections for He-SiO rigid-rotor scattering calculations at high translational energy are presented. Coupled states and recoupled states results are compared with those of close coupling at a total energy of 27 meV. Although the coupled states (CS) method approximates exact calculations by ignoring m coupling in the body frame, the l-averaged CS results are good for orientation-dependent differential cross sections. The l-averaged form of recoupled states makes significant improvements over the l-averaged form of coupled states for orientationally elastic transitions and for large-j transitions. As in past studies, the l-initial and l-final forms of coupled and recoupled states are found to be inferior to the l-averaged form. Orientation-dependent integral and degeneracy-averaged differential and integral cross sections are also discussed.
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页码:230 / 236
页数:7
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