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TIME-DEPENDENT WAVEPACKET ALGORITHM FOR INELASTIC MOLECULE MOLECULE-SCATTERING

delete1991-02-01
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PRE
AI
Y
Yan Sun *
D
Donald J. Kouri
D
David W. Schwenke
D
Donald G. Truhlar
DOI:10.1016/0010-4655(91)90237-Fdelete
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Abstract

Abstract

En 中文
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.
Keywords:
FOURIER METHOD SOLUTION
WAVE PACKET APPROACH
SCHRODINGER-EQUATION
REACTIVE SCATTERING
SURFACE SCATTERING
ROTATIONAL-EXCITATION
COLLINEAR H+H2
COLLISIONS
DISSOCIATION
DYNAMICS
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Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.

Journal

Computer Physics Communications cover
Computer Physics Communications
IF:
3.4
Papers:
1.2W
Citations:
3.7W

Organization

No organization information available
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