Artículo
Mitnik, D.M.; Colavecchia, F.D.; Gasaneo, G.; Randazzo, J.M. "Computational methods for Generalized Sturmians basis" (2011) Computer Physics Communications. 182(5):1145-1155
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Abstract:
The computational techniques needed to generate a two-body Generalized Sturmian basis are described. These basis are obtained as a solution of the Schrödinger equation, with two-point boundary conditions. This equation includes two central potentials: A general auxiliary potential and a short-range generating potential. The auxiliary potential is, in general, long-range and it determines the asymptotic behavior of all the basis elements. The short-range generating potential rules the dynamics of the inner region. The energy is considered a fixed parameter, while the eigenvalues are the generalized charges. Although the finite differences scheme leads to a generalized eigenvalue matrix system, it cannot be solved by standard computational linear algebra packages. Therefore, we developed computational routines to calculate the basis with high accuracy and low computational time. The precise charge eigenvalues with more than 12 significant figures along with the corresponding wave functions can be computed on a single processor within seconds. © 2011 Elsevier B.V. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | Computational methods for Generalized Sturmians basis |
| Autor: | Mitnik, D.M.; Colavecchia, F.D.; Gasaneo, G.; Randazzo, J.M. |
| Filiación: | Departamento de Física, FCEyN, Universidad de Buenos Aires, Argentina Instituto de Astronomía y Física Del Espacio (IAFE), C.C. 67, Suc. 28, (C1428EGA) Buenos Aires, Argentina Centro Atómico Bariloche, 8400 Bariloche, Río Negro, Argentina Departamento de Física, Universidad Nacional Del sur, 8000 Bahía Blanca, Buenos Aires, Argentina Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina |
| Palabras clave: | Atomic spectra; Continuum spectra; Generalized Sturmian functions; Asymptotic behaviors; Atomic spectra; Central potentials; Computational linear algebra; Computational routines; Computational technique; Computational time; Continuum spectra; Dinger equation; Eigenvalues; Finite difference; Fixed parameters; Generalized eigenvalues; Generalized Sturmian functions; Generalized Sturmians; Inner region; Matrix systems; Single processors; Sturmian; Two-point; Eigenvalues and eigenfunctions; Atomic spectroscopy |
| Año: | 2011 |
| Volumen: | 182 |
| Número: | 5 |
| Página de inicio: | 1145 |
| Página de fin: | 1155 |
| DOI: | http://dx.doi.org/10.1016/j.cpc.2011.01.016 |
| Título revista: | Computer Physics Communications |
| Título revista abreviado: | Comput Phys Commun |
| ISSN: | 00104655 |
| CODEN: | CPHCB |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00104655_v182_n5_p1145_Mitnik |
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Citas:
---------- APA ----------
Mitnik, D.M., Colavecchia, F.D., Gasaneo, G. & Randazzo, J.M. (2011) . Computational methods for Generalized Sturmians basis. Computer Physics Communications, 182(5), 1145-1155.http://dx.doi.org/10.1016/j.cpc.2011.01.016
---------- CHICAGO ----------
Mitnik, D.M., Colavecchia, F.D., Gasaneo, G., Randazzo, J.M. "Computational methods for Generalized Sturmians basis" . Computer Physics Communications 182, no. 5 (2011) : 1145-1155.http://dx.doi.org/10.1016/j.cpc.2011.01.016
---------- MLA ----------
Mitnik, D.M., Colavecchia, F.D., Gasaneo, G., Randazzo, J.M. "Computational methods for Generalized Sturmians basis" . Computer Physics Communications, vol. 182, no. 5, 2011, pp. 1145-1155.http://dx.doi.org/10.1016/j.cpc.2011.01.016
---------- VANCOUVER ----------
Mitnik, D.M., Colavecchia, F.D., Gasaneo, G., Randazzo, J.M. Computational methods for Generalized Sturmians basis. Comput Phys Commun. 2011;182(5):1145-1155.http://dx.doi.org/10.1016/j.cpc.2011.01.016
