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Main / Catalog / Section06

472. TDPT: Exponential Time-Dependent Perturbation Theory for Inelastic Scattering

by R. J. Cross, Department of Chemistry, Yale University, New Haven, Connecticut 06511

TDPT uses exponential time-dependent perturbation theory (Magnus approximation) to calculate cross sections for rotationally inelastic scattering for an atom scattering from a rigid linear molecule. The method is appreciably faster than an exact calculation yet is quite accurate for many cases.

FORTRAN 77 (VAX VMS V3.2 Operating System) Lines of Code: 2045

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