Published October 2010 | Version v1
Journal article

Sturmian expansions for two-electron atomic systems: Singly and doubly excited states

  • 1. Division Colisiones Atomicas, Centro Atomico Bariloche and CONICET, 8400 S. C. de Bariloche, Rio Negro (Argentina)
  • 2. Departamento de Fisica, Universidad Nacional del Sur and CONICET, 8000 Bahia Blanca, Buenos Aires (Argentina)

Description

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.

Additional details

Identifiers

Publishing Information

Journal Title
Physical Review. A
Journal Volume
82
Journal Issue
4
Journal Page Range
p. 042503-042503.9
ISSN
1050-2947
CODEN
PLRAAN

Optional Information

Notes
(c) 2010 The American Physical Society