SENSITIVITY ANALYSIS OF THE SCATTERING WAVE-FUNCTIONS FOR A MODEL POTENTIAL VIA THE STABILIZATION METHOD

被引:9
|
作者
CHAO, JSY
机构
[1] Department of Chemistry, Tunghai University, Taichung
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 16期
关键词
D O I
10.1021/j100118a016
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 scattering wave functions with and without the presence of a stabilizing sphere potential are calculated for a model potential via the stabilization method. The sensitivity analysis of these two cases with different parameters is then examined. The comparisons between calculated and exact scattering wave functions indicate that good approximations can be obtained by both approaches with a small basis set. However, the results indicate that the stabilization method with sphere potential (sSM) is rather robust under variations of sphere parameters. Both approaches can yield accurate resonance position with a small basis set. Furthermore, the sSM can yield accurate resonance width even when relatively small basis sets are employed. Finally, the reasons for these observations are discussed.
引用
收藏
页码:4016 / 4022
页数:7
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