The initial value representation (IVR) of the semiclassic (SC) formulation of the probability of inelastic transitions have been investigated for collinear atom-diatom systems. An analysis of the convergence and accuracy of the calculated probabilities is performed by comparing SC-IVR values calculated using an increasing number of trajectories with exact quantum results. Both far and near the threshold behaviors are considered.
Quantum versus semiclassic initial value representation probabilities for non reactive systems
FAGINAS LAGO, Maria Noelia;LAGANA', Antonio;RIGANELLI, Antonio
2004
Abstract
The initial value representation (IVR) of the semiclassic (SC) formulation of the probability of inelastic transitions have been investigated for collinear atom-diatom systems. An analysis of the convergence and accuracy of the calculated probabilities is performed by comparing SC-IVR values calculated using an increasing number of trajectories with exact quantum results. Both far and near the threshold behaviors are considered.File in questo prodotto:
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