Molecular Physics · 1986 · 140 citations · 31 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsPhysical ChemistrySolid State PhysicsAb Initio MethodsDensity Functional TheoryElectronic Structure Of SolidsInteratomic PotentialsIntermolecular ForcesDifferential Cross SectionsElectron Cross SectionsIon Binding EnergeticsMany-body Force FieldsPotential Energy CurvesPotential Energy FunctionsTotal Cross SectionsVirial Coefficients
A simple accurate potential of the HFD-B form is presented which appears to be the best characterization of the Xe-Xe interaction to be constructed to date. It reproduces, within experimental error, such dilute gas macroscopic properties as virial coefficients, viscosities and thermal conductivities over a wide temperature range. It also predicts, within experimental error, such microscopic properties as differential cross sections, high energy beam data, the glory structure in the total cross sections and the vibrational spacings of the Xe dimer. Moreover, it predicts the binding energy of the solid at 0 K.
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Intermolecular forces in simple systems
Reinhart Ahlrichs, R. Penco, G. Scoles · Chemical Physics · 1977 · 535 citations
Natural Sciences, Chemistry, Physics +14
An accurate intermolecular potential for argon
R. A. Aziz, H. H. Chen · The Journal of Chemical Physics · 1977 · 416 citations
Natural Sciences, Chemistry, Physics +17
K. T. Tang, Joseph M. Norbeck, Phillip R. Certain · The Journal of Chemical Physics · 1976 · 410 citations
Natural Sciences, Chemistry, Physics +15
Interatomic potentials for krypton and xenon
John A. Barker, R.O. Watts, Jong K. Lee et al. · The Journal of Chemical Physics · 1974 · 398 citations
Natural Sciences, Chemistry, Physics +17