Improved model calculations for the alkali–rare gas interaction
- 15 November 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (10), 5155-5159
- https://doi.org/10.1063/1.439994
Abstract
The alkali–rare gas potentials are recalculated using the Baylis model for the electronic interaction. Discrepancies with experimental results found in earlier applications of this model are due mainly to numerical approximations. A more realistic cutoff function for the polarization term is introduced and its influence is investigated. For Na–Ne the model fails to reproduce the experimental results. For the A 2Π potential of Na–Ar, Kr, and Xe the remaining discrepancies, which are now entirely due to the model, are 10%–30% for the well depth and 10% for the equilibrium distance.Keywords
This publication has 20 references indexed in Scilit:
- The scattering of slow electrons by polyatomic molecules. A model study for CH4, H2O and H2SJournal of Physics B: Atomic and Molecular Physics, 1980
- Model-potential method for the calculation of atom-rare-gas interactions: application to the Na-Ne systemJournal of Physics B: Atomic and Molecular Physics, 1979
- Low-energy scattering of excited helium atoms by rare gases. I. The model potentialsJournal of Physics B: Atomic and Molecular Physics, 1978
- Laser Spectroscopy of Bound NaNe MoleculesPhysical Review Letters, 1977
- The interpretation of experimental scattering cross sections with pseudopotential calculations for the alkali-mercury interactionJournal of Physics B: Atomic and Molecular Physics, 1977
- A constructive model potential method for atomic interactionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1974
- A multi-configuration Hartree-Fock program with improved stabilityComputer Physics Communications, 1972
- An iterative perturbation solution of the inverse potential problemJournal of Physics B: Atomic and Molecular Physics, 1971
- Interferenzen bei atomaren Stoßprozessen und ihre Interpretation durch ein modifiziertes Lennard-Jones-PotentialThe European Physical Journal A, 1968
- Genaue Potentialbestimmung aus Streumessungen: Alkali-Edelgas-SystemeThe European Physical Journal A, 1968