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Moving boundary truncated grid method: Multidimensional quantum dynamics
Journal article   Peer reviewed

Moving boundary truncated grid method: Multidimensional quantum dynamics

Chun-Yaung Lu, Tsung-Yen Lee and Chia-Chun Chou
International journal of quantum chemistry, Vol.120(1), p.n/a
01/01/2020

Abstract

Chemistry Chemistry, Physical Mathematics Mathematics, Interdisciplinary Applications Physical Sciences Physics Physics, Atomic, Molecular & Chemical Quantum Science & Technology Science & Technology
The moving boundary truncated grid (TG) method is used to study wave packet dynamics of multidimensional quantum systems. As time evolves, appropriate Eulerian grid points required for propagating a wave packet are activated and deactivated with no advance information about the dynamics. This method is applied to the Henon-Heiles potential and wave packet barrier scattering in two, three, and four dimensions. Computational results demonstrate that the TG method not only leads to a great reduction in the number of grid points needed to perform accurate calculations but also is computationally more efficient than the full grid calculations.

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