An accurate potential energy curve for helium based on ab initio calculations
- 15 July 1997
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 107 (3) , 914-919
- https://doi.org/10.1063/1.474444
Abstract
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.Keywords
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