Published June 2012
| Version v1
Journal article
Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction
Creators
- 1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa (Italy)
- 2. Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium)
Description
Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution tRM(r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that tRM = tRM[f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/0031-8949/85/06/065303Additional details
Identifiers
Publishing Information
- Journal Title
- Physica Scripta (Online)
- Journal Volume
- 85
- Journal Issue
- 6
- Journal Page Range
- [2 p.]
- ISSN
- 1402-4896
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44005096
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ATOMS; CONFINEMENT; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRONS; FOURIER TRANSFORMATION; GROUND STATES; INTERACTIONS; KINETIC ENERGY; SCATTERING; SIMULATION
- Descriptors DEC
- CALCULATION METHODS; ELEMENTARY PARTICLES; ENERGY; ENERGY LEVELS; FERMIONS; INTEGRAL TRANSFORMATIONS; LEPTONS; PHYSICAL PROPERTIES; TRANSFORMATIONS; VARIATIONAL METHODS