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A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations

Dimension reduction by freezing the unimportant coordinates is widely used in intramolecular and reaction dynamics calculations when the solution of the accurate full-dimensional nuclear Schrödinger equation is not feasible. In this paper we report on a novel form of the exact classical internal-coordinate H

Autoren:   Tibor Nagy; Anna Vikár; György Lendvay
Journal:   Physical Chemistry Chemical Physics
Band:   20
Ausgabe:   19
Seiten:   13224
DOI:   10.1039/C8CP01600C
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