Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Comparison of the predictions of literature intermolecular potentials for Ar--Xe and Kr--Xe with experiment: Two new potentials

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.445042· OSTI ID:6425973
Literature intermolecular potentials for the Ar--Xe and Kr--Xesystems are analyzed and critically assessed as to their abilities to predict dilute gas bulk and microscopic properties. Two new potentials of the HFD-C form (HFDAX1 and HFDKX1) are proposed for the Ar--Xe and Kr--Xe interactions, respectively, which accurately predict a large number of properties.
Research Organization:
Guelph Waterloo Program for Graduate Work in Physics, Waterloo Campus, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada
OSTI ID:
6425973
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:5; ISSN JCPSA
Country of Publication:
United States
Language:
English

Similar Records

Improved potential for Ar--Kr
Journal Article · Mon Feb 28 23:00:00 EST 1983 · J. Chem. Phys.; (United States) · OSTI ID:6369541

HXeI and HXeH in Ar, Kr, and Xe matrices: Experiment and simulation
Journal Article · Fri Feb 06 23:00:00 EST 2015 · Journal of Chemical Physics · OSTI ID:22416073

Repulsive wall potentials for He-(Ne,Ar,Kr,Xe) as inferred from differential cross sections
Journal Article · Sat May 01 00:00:00 EDT 1993 · Bulletin of the American Physical Society · OSTI ID:281256