TY - JOUR
T1 - Classical probability matrix
T2 - Prediction of quantum-state distributions by a moment analysis of classical trajectories
AU - Truhlar, Donald G.
AU - Duff, James W.
PY - 1975/12/1
Y1 - 1975/12/1
N2 - A new method is presented for extracting approximate quantum mechanical state-to-state transition probabilities from the results of classical trajectory calculations. The method recognizes quantum discreteness by dealing with the quantum mechanical probability matrix, but all dynamical quantities are evaluated by classical mechanics. It is illustrated by application to the linear atom-diatom collision (vibrational excitation); it is capable of treating both classically allowed and classically forbidden processes.
AB - A new method is presented for extracting approximate quantum mechanical state-to-state transition probabilities from the results of classical trajectory calculations. The method recognizes quantum discreteness by dealing with the quantum mechanical probability matrix, but all dynamical quantities are evaluated by classical mechanics. It is illustrated by application to the linear atom-diatom collision (vibrational excitation); it is capable of treating both classically allowed and classically forbidden processes.
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U2 - 10.1016/0009-2614(75)80302-2
DO - 10.1016/0009-2614(75)80302-2
M3 - Article
AN - SCOPUS:47249114571
VL - 36
SP - 551
EP - 554
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4
ER -