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Manuscript Title: Automatic computation of quantum-mechanical bound states and wavefunctions
Authors: V. Ledoux, M. Van Daele
Program title: MATCAS
Catalogue identifier: AEON_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 184(2013)1287
Programming language: Matlab.
Computer: Personal computer architectures.
Operating system: Windows, Linux, Mac (all systems on which Matlab can be installed).
RAM: Depends on the problem size.
Keywords: Schrödinger, Eigenvalues, Eigenfunctions, Shooting, CP method.
PACS: 02.30.Hq, 02.60.Lj, 03.65.-w.
Classification: 4.3.

Nature of problem:
Computation of eigenvalues and eigenfunctions of multichannel Schrödinger equations appearing in quantum mechanics.

Solution method:
A CP-based propagation scheme is used to advance the R-matrix in a shooting process.
The shooting algorithm is supplemented by a Prüfer type mechanism which allows the eigenvalues to be computed according to index: the user specifies an integer k ≥ 0, and the code computes an approximation to the kth eigenvalue. Eigenfunctions are also available through an auxiliary routine, called after the eigenvalue has been determined.

Restrictions:
The program can only deal with non-singular problems.

Additional comments:
Along with the program's source code, we provide several sample configuration files.

Running time:
The running time depends on the size n of the problem and the number of eigenvalues/eigenfunctions computed. For a small problem the runtime should not exceed a few seconds.