Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] afbm_v1_0.tar.gz(6206 Kbytes) | ||
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Manuscript Title: PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser-atom interactions | ||

Authors: Yongsheng Fu, Jiaolong Zeng, Jianmin Yuan | ||

Program title: PCTDSE | ||

Catalogue identifier: AFBM_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 210(2016)187 | ||

Programming language: Fortran 2003. | ||

Computer: Distributed memory machines. | ||

Operating system: Unix-like system. | ||

RAM: Depends on the size of the Cartesian grid | ||

Keywords: Cartesian grid, TDSE, Laser-atom interactions, 2D decomposition. | ||

Classification: 2.1, 2.2, 2.5. | ||

External routines: 2DECOMP&FFT; FFTW; MPI | ||

Nature of problem:Simulate the single-electron dynamics of atoms under the strong fields of modern lasers according to the time-dependent Schrödinger equation. | ||

Solution method:The package solves the TDSE in the FFT-split-operator method, employing the split-operator method to approximate the time evolution operator and fast Fourier transforms to calculate the spatial derivatives. | ||

Restrictions:The code is restricted to problems where the atoms are in the single-active-electron approximation and the lasers are in the dipole approximation. It is also limited by the CPU time and memory that one can afford. | ||

Unusual features:We adopt the parallel strategy where the Cartesian grid is distributed among processors using a 2D decomposition, which has no limitation for large-scale simulations. | ||

Running time:The running time depends on the size of the grid, the number of time step, the number of processors, and the choice of the processor grid, ranging from a few hours to several days. |

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