Program for quantum wave-packet dynamics with time-dependent potentials ?
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schrdinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator method. The program can be compiled for execution either on a single processor or on a distributed-memory parallel computer. Program title: wavepacket Catalogue identifier: AEQW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEQW_v1_0.html Program obtainable from: CPC Program Library, Queens University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 7231 No. of bytes in distributed program, including test data, etc.: 232209 Distribution format: tar.gz Programming language: C (iso C99). Computer: Any computer with an iso C99 compiler (e.g, gcc [1]). Operating system: Any. Has the code been vectorized or parallelized?: Yes, parallelized using MPI. Number of processors: from 1 to the number of grid points along one dimension. RAM: Strongly dependent on problem size. See text for memory estimates. Classification: 2.7. External routines: fftw [2], mpi (optional) [3] Nature of problem: Solves the time-dependent Schrdinger equation for a single particle interacting with a time-dependent potential. Solution method: The wave function is described by its value on a spatial grid and the evolution operator is approximated using the split-operator method [4, 5], with the kinetic energy operator calculated using a Fast Fourier Transform. Unusual features: Simulation can be in one, two, or three dimensions. Serial and parallel versions are compiled from the same source files. Running time: Strongly dependent on problem size. The example provided takes only a few minutes to run. References: http://gcc.gnu.org http://www.fftw.org http://www.mpi-forum.org M.D. Feit, J.A. Fleck Jr., A. Steiger, Solution of the Schrdinger equation by a spectral method, J. Comput. Phys. 47 (1982) 412433. M.D. Feit, J.A. Fleck Jr., Solution of the Schrdinger equation by a spectral method II: vibrational energy levels of triatomic molecules, J. Chem. Phys. 78 (1) (1983) 301308.
wave-packet dynamics time-dependent schrdinger equation ion traps laser control