Parallel computer code for calculating atom-diatom differential reactive cross sections.

The code is described in:

Marlies Hankel, Sean C. Smith, Robert J. Allan, Stephen K. Gray and Gabriel G. Balint-Kurti “State-to-state reactive differential cross sections for the H+H₂ ® H₂+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE”, J. Chem. Phys., 125, 164303 (2006).

 

It is available under license from Marlies Hankel <m.hankel@uq.edu.au>.