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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42045668
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- BOUNDARY CONDITIONS; CONFIGURATION INTERACTION; COULOMB FIELD; EIGENVALUES; ELECTRONS; EXCITED STATES; GROUND STATES; HELIUM IONS; HYDROGEN IONS 1 MINUS; MATHEMATICAL SOLUTIONS; POTENTIALS; QUANTUM MECHANICS
- Descriptors DEC
- ANIONS; CHARGED PARTICLES; ELECTRIC FIELDS; ELEMENTARY PARTICLES; ENERGY LEVELS; FERMIONS; HYDROGEN IONS; IONS; LEPTONS; MECHANICS
Optional Information
- Notes
- (c) 2010 The American Physical Society