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[Licence| Download | New Version Template] aedr_v1_0.tar.gz(76 Kbytes)
Manuscript Title: An arbitrary order diffusion algorithm for solving Schrödinger equations
Authors: S.A. Chin, S. Janecek, E. Krotscheck
Program title: ndsch
Catalogue identifier: AEDR_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 180(2009)1700
Programming language: Fortran 90.
Computer: Tested on x86, amd64, and Itanium2 architectures. Should run on any architecture providing a Fortran 90 compiler.
Operating system: So far tested under UNIX/Linux, Mac OSX and Windows. Any OS with a Fortran 90 compiler available should suffice.
RAM: 2MB to 16GB, depending on system size.
Keywords: Schrödinger equation, Diffusion algorithm, operator factorizations.
PACS: 02.70.-c, 31.15.-p.
Classification: 7.3.

External routines: FFTW3 (http://www.fftw.org/), Lapack (http://www.netlib.org/lapack/)

Nature of problem:
Numerical calculation of the lowest few hundred states of 1D, 2D, and 3D local Schrödinger equations in configuration space.

Solution method:
Arbitrary even-order multi-product operator splitting, as well as a single product fourth-order factorization, of the imaginary time evolution operator.

Additional comments:
Sample input files for the 1D, 2D, and the 3D version as well as a gnuplot script for assessing convergence are included in the distribution file.

Running time:
Seconds to hours, depending on system size.