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[Licence| Download | New Version Template] acfv_v1_0.gz(11 Kbytes)
Manuscript Title: Rate constants and cross sections for vibrational transitions in atom- diatom and diatom-diatom collisions.
Authors: G.D. Billing
Program title: DIDIAV
Catalogue identifier: ACFV_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 32(1984)45
Programming language: Fortran.
Computer: UNIVAC 1100/82.
Operating system: EXEC 8.
RAM: 19K words
Word size: 36
Keywords: Molecular physics, Scattering, Rotational energy Transfer, Diatom-diatom collisions, V-v and v-t/r Rateconstants, Elastic.
Classification: 16.7.

Nature of problem:
The two vibrators are quantized and an energy corrected harmonic oscillator approach is used. Classical trajectories are used for the translational and rotational motion of both molecules.

Solution method:
A Runge Kutta integration subroutine without automatic steplength control is supplied. This routine may, however, be substituted by system supplied routines without major difficulty.

Unusual features:
The program uses a system supplied random number generator a user supplied function and a user supplied subroutine (see long write-up).

Running time:
From a few seconds to several minutes per trajectory.