Comment of fitting a b i n i t i o intermolecular potentials for scattering calculations
- 15 July 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (2) , 715-717
- https://doi.org/10.1063/1.434877
Abstract
The angular dependence of the interaction between two rigid linear rotors is considered, and on of the two expansions in current use is shwn to be inappropriate. Interpolation of tabulated radial interactions is also discussed, and nuimerical tests are presented which demonstrate the accuracy of Lagrange and spline algorithms as a function of the spacing between points.Keywords
This publication has 25 references indexed in Scilit:
- Fitting an a b i n i t i o HF–HF potential surfaceThe Journal of Chemical Physics, 1976
- Coupled-channel study of rotational excitation of a rigid asymmetric top by atom impact: (H2CO,He) at interstellar temperaturesThe Journal of Chemical Physics, 1976
- On analytic fits to the Gordon-Secrest potential energy surface for He–H2: A replyThe Journal of Chemical Physics, 1974
- On analytic fits to the Gordon-Secrest potential energy surface for He–H2The Journal of Chemical Physics, 1974
- Rotational excitation of HD by collisions with HePhysica, 1974
- Rotational Excitation of HCN by CollisionsThe Astrophysical Journal, 1974
- Potential surface dependence of vibrationally inelastic collisions between He and H2The Journal of Chemical Physics, 1974
- Quantum mechanical close coupling approach to molecular collisions. jz -conserving coupled states approximationThe Journal of Chemical Physics, 1974
- Theory of scattering between two rigid rotorsThe European Physical Journal A, 1969
- Rotational energy transfer in molecular collisions : transitions in parahydrogenDiscussions of the Faraday Society, 1962