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TIME-DEPENDENT WAVEPACKET ALGORITHM FOR INELASTIC MOLECULE MOLECULE-SCATTERING
DOI:10.1016/0010-4655(91)90237-F.png)
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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IF:
3.4
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1.2W
Citations:
3.7W
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