Publication Abstracts

Clary and Green 1987

Clary, D.C., and S. Green, 1987: Test of a modified sudden approximation for rotational excitation in He + CH3CN. Chem. Phys., 112, 15-22, doi:10.1016/0301-0104(87)85018-8.

A description is given of a quantum-mechanical approximation specially adapted for the inexpensive calculation of cross sections for the rotational excitation of prolate symmetric top molecules in collisions with atoms. The method involves a coupled-channel expansion in basis functions which are labelled by the symmetric top projection quantum number k and are function of the azimuthal orientation angle phi. The infinite-order sudden approximation is applied to the total angular momentum of the molecule. The method is used in calculating cross sections and rate constants for the low-energy collisions of CH3CN molecules with He atoms. These results compare well with those computed using the coupled-states approximation, and the agreement is superior to that obtained using the infinite-order sudden approximation for both the total and the azimuthal angular momentum of the molecule.

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BibTeX Citation

@article{cl01000b,
  author={Clary, D. C. and Green, S.},
  title={Test of a modified sudden approximation for rotational excitation in He + CH3CN},
  year={1987},
  journal={Chem. Phys.},
  volume={112},
  pages={15--22},
  doi={10.1016/0301-0104(87)85018-8},
}

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RIS Citation

TY  - JOUR
ID  - cl01000b
AU  - Clary, D. C.
AU  - Green, S.
PY  - 1987
TI  - Test of a modified sudden approximation for rotational excitation in He + CH3CN
JA  - Chem. Phys.
VL  - 112
SP  - 15
EP  - 22
DO  - 10.1016/0301-0104(87)85018-8
ER  -

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