Calculated long-range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H
- 1 June 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (11) , 4917-4929
- https://doi.org/10.1063/1.435648
Abstract
The van der Waals (VDW) forces in rare‐gas hydride systems are evaluated through the use of the multiconfiguration self‐consistent field (MCSCF) method. For Kr–H and Xe–H, a pseudopotential variant of the MCSCF method is used. For each system, a potential energy curve is fit to the calculated potential energies, the VDW well depth and equilibrium position are determined, and the low energy total elastic cross sections are computed as a function of relative velocity. The calculated cross sections are in good to excellent agreement, for He–H, Ar–H and Xe–H, and in fair agreement, for Ne–H and Kr–H, with the most recent experimental measurements.Keywords
This publication has 11 references indexed in Scilit:
- The determination of the HHe potential well depth from low energy elestic scatteringChemical Physics Letters, 1976
- A modified pseudopotential approach to the heavy-atomic molecular systems: Application to the X 2Σ1/2+, A 2Π1/2, and the A 2Π3/2 states of the HgH moleculeThe Journal of Chemical Physics, 1976
- H-Ar potential from high-resolution differential cross-section measurements at thermal energyPhysical Review A, 1976
- A simple but reliable method for the prediction of intermolecular potentialsChemical Physics Letters, 1975
- Calculated long-range interactions and low energy scattering of Ar–HThe Journal of Chemical Physics, 1974
- Scattering experiments with fast hydrogen atoms. Velocity dependence of the integral elastic cross section with the rare gases in the energy range 0.01–1.00 eVFaraday Discussions of the Chemical Society, 1973
- Absolute total cross sections for scattering of hydrogen atoms by argon, krypton and xenonChemical Physics Letters, 1972
- Theoretical Study of the van der Waals Forces in Alkali-Noble-Gas SystemsPhysical Review A, 1971
- Atomic Multiconfiguration Self-Consistent-Field WavefunctionsThe Journal of Chemical Physics, 1969
- Intermolecular-Potential-Energy Curves—Theory and Calculations on the Helium—Helium PotentialThe Journal of Chemical Physics, 1966