Efficient computation of Wigner–Eisenbud functions
The R-matrix method, introduced by Wigner and Eisenbud (1947)[1], has been applied to a
broad range of electron transport problems in nanoscale quantum devices. With the rapid
increase in the development and modeling of nanodevices, efficient, accurate, and general
computation of Wigner–Eisenbud functions is required. This paper presents the
Mathematica package WignerEisenbud, which uses the Fourier discrete cosine transform to
compute the Wigner–Eisenbud functions in dimensionless units for an arbitrary potential in …
broad range of electron transport problems in nanoscale quantum devices. With the rapid
increase in the development and modeling of nanodevices, efficient, accurate, and general
computation of Wigner–Eisenbud functions is required. This paper presents the
Mathematica package WignerEisenbud, which uses the Fourier discrete cosine transform to
compute the Wigner–Eisenbud functions in dimensionless units for an arbitrary potential in …
The R-matrix method, introduced by Wigner and Eisenbud (1947) [1], has been applied to a broad range of electron transport problems in nanoscale quantum devices. With the rapid increase in the development and modeling of nanodevices, efficient, accurate, and general computation of Wigner–Eisenbud functions is required. This paper presents the Mathematica package WignerEisenbud, which uses the Fourier discrete cosine transform to compute the Wigner–Eisenbud functions in dimensionless units for an arbitrary potential in one dimension, and two dimensions in cylindrical coordinates. PROGRAM SUMMARY: Program title: WignerEisenbud Catalogue identifier: AEOU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOU_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html Distribution format: tar.gz Programming language: Mathematica Operating system: Any platform supporting Mathematica 7.0 and above Keywords: Wigner-Eisenbud functions, discrete cosine transform (DCT), cylindrical nanowires Classification: 7.3, 7.9, 4.6, 5 Nature of problem: Computing the 1D and 2D Wigner–Eisenbud functions for arbitrary potentials using the DCT. Solution method: The R-matrix method is applied to the physical problem. Separation of variables is used for eigenfunction expansion of the 2D Wigner–Eisenbud functions. Eigenfunction computation is performed using the DCT to convert the Schrödinger equation with Neumann boundary conditions to a generalized matrix eigenproblem. Limitations: Restricted to uniform (rectangular grid) sampling of the potential. In 1D the number of sample points, n, results in matrix computations involving n×n matrices. Unusual features: Eigenfunction expansion using the DCT is fast and accurate. Users can specify scattering potentials using functions, or interactively using mouse input. Use of dimensionless units permits application to a wide range of physical systems, not restricted to nanoscale quantum devices. Running time: Case dependent.
Elsevier
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