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 -