Calculated long-range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H

Journal Article · Thu Jun 01 04:00:00 EDT 1978 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.435648· OSTI ID:6842863

Das, G; Wagner, A F; Wahl, A C

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.

• Research Organization: Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439
• OSTI ID: 6842863
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 68:11; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
ATOM COLLISIONS
ATOM-ATOM COLLISIONS
COLLISIONS
CROSS SECTIONS
CRYOGENIC FLUIDS
ELASTIC SCATTERING
ELEMENTS
FLUIDS
HELIUM
HYDROGEN
INTERATOMIC FORCES
KRYPTON
NONMETALS
RARE GASES
SCATTERING
VAN DER WAALS FORCES
XENON