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TIME-DEPENDENT WAVEPACKET ALGORITHM FOR INELASTIC MOLECULE MOLECULE-SCATTERING
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DOI：10.1016/0010-4655(91)90237-F.png)
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摘要
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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.
Keyword:
FOURIER METHOD SOLUTION
WAVE PACKET APPROACH
SCHRODINGER-EQUATION
REACTIVE SCATTERING
SURFACE SCATTERING
ROTATIONAL-EXCITATION
COLLINEAR H+H2
COLLISIONS
DISSOCIATION
DYNAMICS
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期刊
IF:
3.4
论文数:
1.2W
被引数:
3.7W
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