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Time-dependent wavepacket algorithm for inelastic molecule-molecule scattering

✍ Scribed by Yan Sun; Donald J. Kouri; David W. Schwenke; Donald G. Truhlar

Book ID
103047341
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
771 KB
Volume
63
Category
Article
ISSN
0010-4655

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✦ Synopsis

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.

πŸ“œ SIMILAR VOLUMES

Use of vibrationally adiabatic basis fun
Use of vibrationally adiabatic basis functions for inelastic atom-molecule scattering
✍ Nancy Mullaney Harvey; Donald G. Truhlar πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 355 KB

Recelrcd 30 h ΒΆay 1980 Convergence rates are ccmpared for adlabatlc basis sets and convenuonal free-molecule basis sets for the e'rpanslon of the scattermg wavcfunchon III the quanta1 treatment of a colhnear model of vlbratlonally inelastIc He-Hz scattering. VibratIonally adlabahc basis sets lead to