Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeko_v1_1.tar.gz(5 Kbytes)|
|Manuscript Title: A general spectral method for the numerical simulation of one-dimensional interacting fermions|
|Authors: Christian Clason, Gregory von Winckel|
|Program title: assembleFermiMatrix|
|Catalogue identifier: AEKO_v1_1|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 183(2012)1843|
|Programming language: MATLAB/ GNU Octave, Python.|
|Computer: Any architecture supported by MATLAB, GNU Octave or Python.|
|Operating system: Any supported by MATLAB, GNU Octave or Python;.|
|RAM: Depends on the data|
|Keywords: Schrödinger equation, Fermions, Numerical solution, Spectral method.|
|Classification: 4.3, 2.2.|
External routines: Python 2.7+, NumPy 1.3+, SciPy 0.10+
Does the new version supersede the previous version?: Yes
Nature of problem:
The direct numerical solution of the multi-particle one-dimensional Schrödinger equation in a quantum well is challenging due to the exponential growth in the number of degrees of freedom with increasing particles.
A nodal spectral Galerkin scheme is used where the basis functions are constructed to obey the antisymmetry relations of the fermionic wave function. The assembly of these matrices is performed efficiently by exploiting the combinatorial structure of the sparsity patterns.
Reasons for new version:
A Python implementation is now included.
Summary of revisions:
Added a Python implementation; small documentation fixes in Matlab implementation. No change in features of the package.
Only one-dimensional computational domains with homogeneous Dirichlet or periodic boundary conditions are supported.
Seconds to minutes.
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