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Moving boundary truncated grid method: Multidimensional quantum dynamics
Author(s) -
Lu ChunYaung,
Lee TsungYen,
Chou ChiaChun
Publication year - 2020
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26055
Subject(s) - wave packet , grid , boundary (topology) , quantum , scattering , eulerian path , reduction (mathematics) , computer science , statistical physics , physics , mathematical analysis , mathematics , quantum mechanics , geometry , lagrangian
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.