PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser–atom interactions
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http://doi.org/10.17632/n6m3gtsh3w.1
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Abstract
We present a parallel Cartesian-grid-based time-dependent Schrödinger equation (TDSE) solver for modeling laser–atom interactions. It can simulate the single-electron dynamics of atoms in arbitrary time-dependent vector potentials. We use a split-operator method combined with fast Fourier transforms (FFT), on a three-dimensional (3D) Cartesian grid. Parallelization is realized using a 2D decomposition strategy based on the Message Passing Interface (MPI) library, which results in a good...
Title of program: PCTDSE
Catalogue Id: AFBM_v1_0
Nature of problem
Simulate the single-electron dynamics of atoms under the strong fields of modern lasers according to the time-dependent Schrödinger equation.
Versions of this program held in the CPC repository in Mendeley Data
AFBM_v1_0; PCTDSE; 10.1016/j.cpc.2016.09.016
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
本文提出了一种基于并行笛卡尔网格的时间相关薛定谔方程（TDSE）求解器，用以模拟激光与原子间的相互作用。该求解器能够模拟在任意时变矢量势下原子的单电子动力学。我们采用分裂算子法与快速傅里叶变换（FFT）相结合的方法，在三维（3D）笛卡尔网格上进行计算。并行化是通过基于消息传递接口（MPI）库的二维分解策略实现的，从而达到了良好的...
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