An accurate potential energy curve for helium based on ab initio calculations

被引:204
|
作者
Janzen, AR
Aziz, RA
机构
[1] Department of Physics, University of Waterloo, Waterloo
来源
JOURNAL OF CHEMICAL PHYSICS | 1997年 / 107卷 / 03期
关键词
D O I
10.1063/1.474444
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
Korona, Williams, Bukowski, Jeziorski, and Szalewicz [J. Chem. Phys. 106, 1 (1997)] constructed a completely ab initio potential for He-2 by fitting their calculations using infinite order-symmetry adapted perturbation theory at intermediate range, existing Green's function Monte Carlo calculations at short range and accurate dispersion coefficients at long range to a modified Tang-Toennies potential form. The potential with retardation added to the dipole-dipole dispersion is found to predict accurately a large set of microscopic and macroscopic experimental data. The potential with a significantly larger well depth than other recent potentials is judged to be the most accurate characterization of the helium interaction yet proposed. (C) 1997 American Institute of Physics.
引用
收藏
页码:914 / 919
页数:6
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