Interatomic potentials for HeAr, HeKr, and HeXe from multiproperty fits

Journal Article · Fri Jan 15 00:00:00 EST 1988 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.454165· OSTI ID:5646462

Danielson, L J; Keil, M

Crossed molecular beam measurements of differential cross sections (DCS) are reported for elastic scattering of He by Ar, Kr, and Xe at high resolution. Interatomic potentials are determined by simultaneously fitting the DCS's, as well as mixture viscosity and interaction second virial data. Bias due to systematic and potential model errors are examined and are used to estimate the accuracy of the potential energy curves obtained. Attractive well depths are 2.59, 2.67, and 2.64 meV +- 3% for HeAr, HeKr, and HeXe, respectively, agreeing with the best available HeAr potential and a previously proposed HeKr potential, but significantly deeper than previously reported potentials for HeXe. The HeXe attractive well is also considerably broader than previously reported. Attractive minimum positions are 3.48, 3.70, and 4.00 A ( +- 0.03 A) for HeAr, HeKr, and HeXe, respectively. Including the accurate diffusion data of Dunlop and co-workers (Physica A 95, 561 (1979)) and the absolute integral cross sections of Pirani and Vecchiocattivi (J. Chem. Phys. 66, 372 (1977) and revisions thereto) verify the error bounds for all three potentials.

• Research Organization: Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, Canada
• OSTI ID: 5646462
• Journal Information: J. Chem. Phys.; (United States), Vol. 88:2
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ARGON
ATOM-ATOM COLLISIONS
INTERATOMIC FORCES
ELASTIC SCATTERING
HELIUM
KRYPTON
XENON
ATOMIC BEAMS
DIFFERENTIAL CROSS SECTIONS
DIMERS
POTENTIALS
ATOM COLLISIONS
BEAMS
COLLISIONS
CROSS SECTIONS
ELEMENTS
FLUIDS
GASES
NONMETALS
RARE GASES
SCATTERING
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena