Collision Systems

In addition to the general parameters, input parameters must be supplied to define the particular collision system to be treated and to control the choice of channels and internal energies. Currently the HibridonTM package can accomodate the following collision systems: (click the button for a further description of the system variables in each case)

For systems (1) - (7), (9), and (11) below, by setting the flag FLAGSU = .TRUE., it is possible to treat the collision of the partner (atom or molecule) with internal structure with a flat, rigid surface.

  1. A 1 Molecule and a Spherical Atom
    Ref. W. A. Lester, Jr., Meth. Comput. Phys. 10, 211 (1971).
  2. A 2 Molecule and a Spherical Atom
    Ref. M. H. Alexander, J. Chem. Phys. 76, 3637 (1982).
  3. A 2 Molecule and a Spherical Atom
    Ref. M. H. Alexander, J. Chem. Phys. 76, 5974 (1982); M. H. Alexander, Chem. Phys. 92, 337 (1985); G. C. Corey and M. H. Alexander, J. Chem. Phys. 85, 5652 (1986).
  4. Collisional mixing of a 2 and 2 State of a Diatomic Molecule induced by a Spherical Atom
    Ref. M. H. Alexander and G. C. Corey, J. Chem. Phys. 84, 100 (1986); H.-J. Werner, B. Follmeg, M. H. Alexander, and D. Lemoine, ibid. 91, 5425 (1989).
  5. Collisions of a Molecule in a 1, 2, or 3 State with a Spherical Atom
    Ref. M. H. Alexander, J. Chem. Phys. 76, 5974 (1982); M. H. Alexander, Chem. Phys. 92, 337 (1985); G. C. Corey and M. H. Alexander, J. Chem. Phys. 85, 5652 (1986); D. Lemoine, G. C. Corey, M. H. Alexander, and J. Derouard, Chem. Phys. 118, 357 (1987).
  6. A Symmetric Top Molecule and a Spherical Atom
    Ref. S. Green, J. Chem. Phys. 64, 3463 (1976); 67, 816 (1979).
  7. An Atom in a 1P and/or 3P state and a Spherical Atom
    Ref. B. Pouilly, T. Orlikowski, and M. H. Alexander, J. Phys. B 18, 1953 (1985); B. Pouilly and M. H. Alexander, J. Chem. Phys. 86, 4790 (1987); B. Pouilly, J.-M. Robbe, and M. H. Alexander, ibid. 91, 1658 (1989).
  8. Two 1 Diatomics
    Ref. S. Green, J. Chem. Phys. 62, 2271 (1975); A. E. DePristo and M. H. Alexander, ibid. 66, 1334 (1977); M. H. Alexander, ibid. 73, 5135 (1980).
  9. A Symmetric top and a Linear Molecule in a 1 State
    Ref. C. Rist, M. H. Alexander, and P. Valiron, J. Chem. Phys. 98, 4662 (1993).
  10. Collisions of an atom in a 2P state and an atom in a 2S electronic state
    Ref. M. H. Alexander, B. Pouilly, and T. Duhoo, J. Chem. Phys. 99, 1752 (1993).
  11. A 1 molecule + spherical atom>
    Ref. D. G. Sauder, D. Patel-Misra, and P. J. Dagdigian, J. Chem. Phys. 91, 5316 (1989).
  12. An atom in a 2P electronic state and a Homonuclear Diatomic
    Ref. M.-L. Dubernet and J. M. Hutson, J. Chem. Phys. 101, 1939 (1994).
To view the list of parameters required in each case, enter the commands

See also the BASIS and SYSDAT help files.
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