A DFT variational approach to Hooke's atom based on local-scaling transformations

Abstract:

The local-scaling transformation version of density functional theory, LS-DFT, is employed in order to construct energy functionals for Hooke's atom. The components of the energy are analyzed and the resulting exchange and correlation potentials are compared with the exact ones. In addition, the representation of the exact one-particle density in terms of the various components of the total energy density is discussed. © 2002 Elsevier Science B.V. All rights reserved.

Año de publicación:

2002

Keywords:

• density functional theory
• Local-scaling transformations
• Hooke's atom

Fuente:

scopus