A new determination of the ground state interatomic potential for He2
- 20 August 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 61 (6), 1487-1511
- https://doi.org/10.1080/00268978700101941
Abstract
A simple accurate potential of the HFD-B form, which appears to be the best characterization of the He-He interaction constructed to date, is presented. It has been fitted to low temperature second virial coefficient data and recent accurate room temperature viscosity data, while at the same time pinning the repulsive wall to the value calculated by Ceperley and Partridge at 1 Bohr. It possesses a well depth of 10·948 K, considerably deeper than many of the recent empirical or ab initio potentials. It reproduces, within experimental error, such dilute gas properties as second 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 integral cross sections and backward glory oscillations in the integral cross sections. Finally, it accounts for nuclear magnetic relaxation in 3He and supports a weakly bound state in the 4He interaction.Keywords
This publication has 56 references indexed in Scilit:
- The argon and krypton interatomic potentials revisitedMolecular Physics, 1986
- New combining rules for well parameters and shapes of the van der Waals potential of mixed rare gas systemsThe European Physical Journal D, 1986
- On the Xe-Xe potential energy curve and related propertiesMolecular Physics, 1986
- The He2 potential at small distancesThe Journal of Chemical Physics, 1986
- Close-coupled and coupled-states calculation of shear viscosity SBE cross sections for the H2–He systemThe Journal of Chemical Physics, 1982
- The possibility of a 4He2 bound state, effective range theory, and very low energy He–He scatteringThe Journal of Chemical Physics, 1982
- Determination of the-Repulsive Potential up to 0.14 eV by Inversion of High-Resolution Total—Cross-Section MeasurementsPhysical Review Letters, 1973
- Transport collision integrals for a dilute gasComputer Physics Communications, 1971
- A method for numerical integration on an automatic computerNumerische Mathematik, 1960
- Die Zähigkeit von gasförmigem He3 und He4 zwischen 1,3° K und 4,2° KThe European Physical Journal A, 1954