Validity of central field approximations in molecular scattering: Low energy CO–He collisions
- 1 September 1975
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 63 (5) , 2000-2009
- https://doi.org/10.1063/1.431536
Abstract
Close coupled calculations have been carried out on collisions of helium and carbon monoxide interacting via a theoretical interaction potential which is believed to accurately reproduce the true interaction of this system. These are compared with an equivalent set of calculations for the spherical average of this potential, V0. We conclude that the latter approximation holds reasonably well for transport property calculations but not for differential and total scattering cross sections. As a consequence, conservation of scattering cross section theorems that are based on V0 do not hold well.Keywords
This publication has 41 references indexed in Scilit:
- 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
- The Ehrenfest theorem and gas transport propertiesPhysica, 1974
- Rotational excitation of HD by collisions with HePhysica, 1974
- Rotational Excitation of HCN by CollisionsThe Astrophysical Journal, 1974
- Rainbow, Stueckelberg oscillations and rotational coupling on the differential cross section of Na + I → Na+ + I−Physica, 1973
- Helium-Atom–Hydrogen-Molecule Potential Surface Employing the LCAO–MO–SCF and CI MethodsThe Journal of Chemical Physics, 1970
- Semiclassical Approximation for the Total Cross Section of Atom–Diatomic-Molecule Collisions; Quenching of Glory UndulationsThe Journal of Chemical Physics, 1969
- Theory of Elastic Differential Scattering in Low-Energy+He CollisionsPhysical Review B, 1965
- Formal Kinetic Theory of Transport Phenomena in Polyatomic Gas MixturesThe Journal of Chemical Physics, 1963
- Semiclassical description of scatteringAnnals of Physics, 1959