Study of the Ar–N2 interaction. I. Electron gas model (Gordon–Kim model) potential calculation
- 1 June 1978
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (11) , 5001-5005
- https://doi.org/10.1063/1.435614
Abstract
The interaction potential between Ar and N2 is calculated for various angular orientations using the Gordon–Kim electron gas model. The spherically averaged potential is compared with the available experimental potentials. The agreement is very good, as good as the agreement found in the cases of atom–atom interactions. This is quite unlike the other atom–molecule interactions treated by the electron gas model, where the molecules involved were polar. The calculated anisotropy coefficient is larger than the widely used value of Pattengill et al., but it is in the direction of the more recent empirical value of Kistemaker and de Vries.Keywords
This publication has 31 references indexed in Scilit:
- Surprisal analysis of classical trajectory calculations of rotationally inelastic cross sections for the Ar–N2 system; influence of the potential energy surfaceThe Journal of Chemical Physics, 1976
- Interaction potentials for He–HF and Ar–HF using the Gordon–Kim methodThe Journal of Chemical Physics, 1976
- Intermolecular potential surfaces from electron gas methods. I. Angle and distance dependence of the He–CO2 and Ar–CO2 interactionsThe Journal of Chemical Physics, 1976
- Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)The Journal of Chemical Physics, 1975
- Rotational Excitation of HCN by CollisionsThe Astrophysical Journal, 1974
- Comment on determination of the interaction potential between Ar and HClThe Journal of Chemical Physics, 1974
- Transport Properties of a Gas of Diatomic Molecules. V. GPS Calculation of the Rotational Relaxation Time of the Ar–N2 SystemThe Journal of Chemical Physics, 1972
- Angular Distribution of the Scattering of Ar by N2 and NeThe Journal of Chemical Physics, 1971
- Thermal-energy atom-molecule collisionsJournal of Physics B: Atomic and Molecular Physics, 1969
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966