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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_0
Distribution 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.