Artículo
A general method to obtain sturmian functions for continuum and bound state problems with coulomb interactions
Fecha de publicación:
04/2010
Editorial:
John Wiley & Sons Inc
Revista:
International Journal of Quantum Chemistry
ISSN:
0020-7608
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In this article, we investigate discretization schemes to represent Sturmian functions for both positive and negative energies in the presence of a long range Coulomb potential.We explore two methods to obtain Sturmian functions for positive energy. The first one involves the expansion of the radial wave function in a L2 finite basis set, whereas the second one introduces the discretization of the radial coordinate domain of the Hamiltonian or, alternatively, the Green function. We apply them to find the bound states and scattering phase shift for N-electron atoms close to the critical charge. Both methods are able to describe bound states near threshold, as well as continuum states with very good convergence properties.
Palabras clave:
Critical Charge
,
Phase Shift
,
Scattering
,
Sturmian Function
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Articulos(IFISUR)
Articulos de INSTITUTO DE FISICA DEL SUR
Articulos de INSTITUTO DE FISICA DEL SUR
Citación
Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario; A general method to obtain sturmian functions for continuum and bound state problems with coulomb interactions; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 5; 4-2010; 963-974
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