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JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials
Abstract
We present a software package JMATRIX, consisting of two computer codes written in FORTRAN 95 and parallelized with OpenMP, implementing the so-called J-matrix method, applied to elastic scattering of electrons on the radial potential, vanishing faster than Coulomb one. In the J-matrix method, physical scattering problem is replaced by using well-defined model, which is solved analytically. Presented software implements both non-relativistic and relativistic versions of the method, and allows for calculations of scattering phase shifts as well as the cross sections, in the cases when the scattering potential is given through the analytical formula. We performed a test calculations for scattering potential modeled as a truncated Coulomb potential. We show, that numerical phase shifts converge as we increase size of basis used to truncate scattering potential, and that the method is suitable for calculating total, differential, momentum transfer and spin polarization cross sections, using partial-wave analysis.
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- Category:
- Articles
- Type:
- artykuły w czasopismach recenzowanych i innych wydawnictwach ciągłych
- Published in:
-
TASK Quarterly
no. 21,
pages 17 - 42,
ISSN: 1428-6394 - Language:
- English
- Publication year:
- 2017
- Bibliographic description:
- Syty P., Sienkiewicz J.: JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials// TASK Quarterly. -Vol. 21., nr. 1 (2017), s.17-42
- DOI:
- Digital Object Identifier (open in new tab) 10.17466/tq2017/21.1/c
- Verified by:
- Gdańsk University of Technology
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