A MODIFICATION OF THE TANG-TOENNIES POTENTIAL MODEL TO PRODUCE A MORE REALISTIC REPULSIVE WALL - APPLICATION TO HE-2

被引:17
作者
AZIZ, RA
KRANTZ, A
SLAMAN, MJ
机构
[1] Department of Physics, University of Waterloo, Waterloo, N2L 3G1, Ontario
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 21卷 / 03期
关键词
D O I
10.1007/BF01426382
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Tang and Toennies presented [1] a simple model potential with individual damping for spherical interactions. Their model enables one to predict the interaction from only a knowledge of the dispersion coefficients and well known values for the energy and length parameters-epsilon and r(m). While this scheme results in a realistic representation of the potential bowl and long-range tail, the repulsive wall of the model is, unfortunately, generally too stiff. In the case of helium, the ab initia dispersion coefficients are accurately known, and hence the potential model contains no adjustable parameters to rectify this problem. In this work we present a modification of their model potential which includes two additional parameters to provide for improved flexibility. This new version of the model yields a more accurate representation of the helium system over a much larger range of interatomic separations than the original model.
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页码:251 / 257
页数:7
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