Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] aeth_v1_0.tar.gz(226 Kbytes)
Manuscript Title: Collisions of electrons with hydrogen atoms I. Package outline and high energy code
Authors: Jakub Benda, Karel Houfek
Program title: hex-db, hex-dwba
Catalogue identifier: AETH_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 185(2014)2893
Programming language: C++11.
Computer: Any.
Operating system: Any system with a C++11 compiler (e.g. GCC 4.8.1; tested on OpenSUSE 13.1 and Windows 8).
RAM: Test run: hex-db - 3 MiB, hex-dwba - 7.5 Mib
Keywords: Electron-hydrogen scattering, Atomic database, Distorted-wave Born approximation.
Classification: 2.4.

External routines:
hex-db - GSL [1], FFTW3 [2], SQLite3 [3].
hex-dwba - GSL [1], CLN [4], optionally HDF5 [5]
All of the libraries are open-source and maintained.

Nature of problem:
hex-db - Extraction of derived (observable) quantities from partial-wave T-matrices.
hex-dwba - Perturbative solution of electron-hydrogen scattering for high energies.

Solution method:
hex-db - Simple algebraic operations and angular summations of the scattering T-matrices.
hex-dwba - Born approximation of the first order, with optional distortion of partial waves by the target potential.

Running time:
hex-db - Mostly less than a second.
hex-dwba - Test run consisting of 60 successive launches of the program took 9 minutes on Intel Core i7-3770K 3.5 GHz.

[1] M. Galassi, et al., GNU Scientific Library: Reference Manual, Network Theory Ltd., 2003.
[2] M. Frigo, Steven, G. Johnson, Proceedings of the IEEE 93 (2005) 216-231.
[3] M. Owens, The Definitive Guide to SQLite (Definitive Guide), Apress, Berkeley, CA, 2006.
[4] B. Haible, R. B. Kreckel, Class library for numbers. URL http://www.ginac.de/CLN/
[5] The HDF Group, Hierarchical data format version 5 (2000-2014). URL http://www.hdfgroup.org/HDF5