Moving boundary truncated grid method: Multidimensional quantum dynamics |
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| Authors: | Chun-Yaung Lu Tsung-Yen Lee Chia-Chun Chou |
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| Institution: | 1. Texas Advanced Computing Center, The University of Texas at Austin, Austin, Texas;2. Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan |
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| Abstract: | 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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| Keywords: | adaptive grid Henon-Heiles potential moving boundary truncated grid method quantum barrier scattering wave packet dynamics |
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