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• W2053911102 abstract "Recently, Peng and Zhang have introduced the reactant-product decoupling (RPD) equations. These are an exact formulation of quantum mechanical reactive-scattering, whereby the Schrödinger equation is partitioned into a set of uncoupled equations, each of which describes the dynamics in one arrangement of the reaction. In this paper we derive an efficient method for solving the RPD equations which is based on the Chebyshev propagator. The derivation makes use of the recently derived time-independent wavepacket version of the RPD equations. We test the method by applying it to the collinear H+H2 reaction." @default.
• W2053911102 created "2016-06-24" @default.
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• W2053911102 date "1997-05-08" @default.
• W2053911102 modified "2023-09-27" @default.
• W2053911102 title "A Chebyshev method for calculating state-to-state reaction probabilities from the time-independent wavepacket reactant-product decoupling equations" @default.
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• W2053911102 doi "https://doi.org/10.1063/1.473766" @default.
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