Abstract
The application of artificial intelligence (AI) methods to the determination of intramolecular quantum dynamics for multidimensional systems is described. An AI method based on a physically motivated search algorithm and evaluation function is considered. In both the cases of quantum beats and energy “dissipation” the results for the intramolecular vibrational energy redistribution within an eleven-coordinate model system are shown to be accurate with a considerably reduced number of basis states.
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