info:eu-repo/semantics/article
Sturmian expansions for two-electron atomic systems: Singly and doubly excited states
Fecha
2010-10Registro en:
Frapiccini, Ana Laura; Randazzo, Juan Martin; Gasaneo, Gustavo; Colavecchia, Flavio Dario; Sturmian expansions for two-electron atomic systems: Singly and doubly excited states; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 82; 4; 10-2010; 1-9
1050-2947
CONICET Digital
CONICET
Autor
Frapiccini, Ana Laura
Randazzo, Juan Martin
Gasaneo, Gustavo
Colavecchia, Flavio Dario
Resumen
We present a configuration interaction (CI) method based on the Sturmian expansion for bound states of a two-electron atomic system. These Sturmian functions are solutions of one-electron quantum mechanical problems, where the eigenvalue is the magnitude of a short-range potential. Also, they fulfill the long-range boundary conditions of Coulomb potentials. We choose to expand the Sturmians of the CI basis using L2 Laguerre-type functions. We compute ground and single-excited states energies for He and H. Moreover, we are able to obtain energies and widths of double excited states of He, using a Sturmian basis with outgoing boundary conditions. In all cases, our ansatz outperforms other CI calculations, for similar basis size. © 2010 The American Physical Society.