Unique determination of the He2 ground state potential from experiment by use of a reliable potential model
- 1 March 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (5) , 2360-2378
- https://doi.org/10.1063/1.443264
Abstract
Measured backward glory oscillations of integral 4He2 and 3He2 scattering cross sections are evaluated by use of an improved semiclassical backward glory formula yielding the energy dependence of the s phases, which allows the calculation of the He2 potential in the region 1.83–2.12 Å via Miller’s semiclassical inversion method. A physically realistic two‐parameter potential model, which uses all ab initio data available with sufficient accuracy, is fitted to the inversion result, giving in a unique way the entire helium pair potential function. A well with a depth of 10.74 K at 2.975 Å is obtained, which supports a bound state for 4He2 very near to the dissociation limit. Via construction, the potential model also gives results for individual interaction energy terms in the symmetry adapted perturbation scheme for the He2 interaction. Calculations with the determined potential reproduce the various experimental data available for helium. The best ab initio He2 potentials available today converge towards that potential.Keywords
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