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
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.
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页码:914 / 919
页数:6
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