Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeon_v1_0.tar.gz(117 Kbytes)|
|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.|
Nature of problem:
Computation of eigenvalues and eigenfunctions of multichannel Schrödinger equations appearing in quantum mechanics.
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.
The program can only deal with non-singular problems.
Along with the program's source code, we provide several sample configuration files.
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.
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