Partial averaging in classical S-matrix theory. Vibrational excitation of H2 by He

Authors:
  • WMW. H. Miller
    W. H. Miller
  • ARA. W. Raczkowski
    A. W. Raczkowski
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Abstract
Within the framework of a general semiclassical theory that combines exact classical dynamics and quantum superposition it is shown how a certain averaging procedure allows one to treat some degrees of freedom in a strictly classical sense while others are quantized semiclassically. This enormously simplifies the application of the theory to three-dimensional collision systems and also leads to an interesting formal structure in the theory: the quantum-like degrees of freedom are quantized semiclassically via use of double-ended boundary conditions, while the unquantized classical-like degrees of freedom enter only through a phase space average over their initial coordinates and momenta. Preliminary results for vibrational excitation of H2 by He are presented and compared with available quantum mechanical calculations.