HARD SHAPE POTENTIALS FROM ROTATIONAL STATE-TO-STATE INELASTIC CROSS-SECTIONS - A POSSIBLE ROUTE TO INVERSION

被引:12
作者
BOSANAC, SD
MURRELL, JN
机构
[1] UNIV SUSSEX, SCH CHEM & MOLEC SCI, BRIGHTON BN1 9QJ, E SUSSEX, ENGLAND
[2] RUDJER BOSKOVIC INST, YU-41001 ZAGREB, CROATIA
关键词
D O I
10.1063/1.460023
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 two-parameter hard shape potential has been deduced which reproduces previously reported rotationally inelastic integral cross sections for He-HF collisions. A potential optimized to the 0-->1 and 0-->2 cross sections at a collision energy of 41.4 meV reproduces well other DELTA-j = +/- 1 and +/- 2 cross sections at this energy and at 81.9 meV. The potential is quite close to the 81.9 meV contour surface of a published He-HF potential. If this surface is used to define the hard shape potential then, although the DELTA-j = +/- 2 and DELTA-j = +/- 3 cross sections are improved, the DELTA-j = +/- 1 cross sections are approximately 50% too large.
引用
收藏
页码:1167 / 1170
页数:4
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