Adsorption states of light atoms (H, D, He) on quantum crystals (H2, D2, He, Ne)
- 1 January 1985
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (1) , 496-507
- https://doi.org/10.1063/1.448772
Abstract
A study is made of the adsorption states of light atoms (H,D,He) on perfect quantum crystals (H2,D2,He,Ne). The quantum nature of the crystal is taken into account at the outset of the theory and the adsorption states are calculated as the bound states of a single atom in the potential created by the semi‐infinite solid (rigid lattice approximation). The three‐dimensional Schrödinger equation is solved to obtain the binding energies of the various hydrogen and helium isotopes on the (111) and (100) faces of the following quantum crystals: H2, D2, He, Ne. The major sources of uncertainty in the results are discussed in the paper: by increasing importance they are the neglect of many body interactions, the neglect of the coupling of the adatom with the surface, and finally the uncertainties in most of the pair potentials. A good agreement is obtained with available experimental results.Keywords
This publication has 37 references indexed in Scilit:
- Near Hartree–Fock calculation of the H+H2 potential energy surfaceThe Journal of Chemical Physics, 1982
- A simple theoretical model for the van der Waals potential at intermediate distances. IV. The bond distance dependence of the potential hypersurfaces for He–H2 and Ne–H2 also for the repulsive regionThe Journal of Chemical Physics, 1982
- The solid molecular hydrogens in the condensed phase: Fundamentals and static propertiesReviews of Modern Physics, 1980
- Molecular beam scattering studies of orbiting resonances and the determination of van der Waals potentials for H–Ne, Ar, Kr, and Xe and for H2–Ar, Kr, and XeThe Journal of Chemical Physics, 1979
- Experimental determination of the isotropic part of the D–H2 potential surfaceThe Journal of Chemical Physics, 1979
- A study of molecular pair potentials; A semiempirical approachThe Journal of Chemical Physics, 1976
- Molecular beam measurements of the D–H2 potential and recalibration of the reactive cross sectionThe Journal of Chemical Physics, 1975
- Higher-order long-range interactions between rare gas and hydrogen atomsThe Journal of Chemical Physics, 1974
- Adsorption of Helium on Rare-Gas-Plated GraphitePhysical Review A, 1972
- Debye-Waller Factors in Rare-Gas SolidsPhysical Review B, 1968