Time-dependent wavepacket algorithm for inelastic molecule-molecule scattering

Yan Sun, Donald J. Kouri, David W. Schwenke, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


We present a time-dependent wavepacket propagation method for diatom-diatom inelastic scattering. This method is efficient for systems involving large numbers of states, and the algorithm used is suitable for and tested on a vector-processing computer. The numerical test is performed for a model HF-HF system, and the results obtained agree well with those from another calculation performed by the time-independent R-matrix propagation method.

Original languageEnglish (US)
Pages (from-to)51-62
Number of pages12
JournalComputer Physics Communications
Issue number1-3
StatePublished - Feb 1991

Bibliographical note

Funding Information:
This work was supported in part by the National Science Foundation and the Minnesota Supercomputer Institute.


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