Orbital-free energy functional for electrons in two dimensions

Abstract

We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the interaction energy, where we follow the lines introduced by Parr for three-dimensional systems [R. G. Parr, J. Phys. Chem. 92, 3060 (1988)], and the Thomas-Fermi approximation for the kinetic energy. The freedom from orbitals and from the Hartree integral makes the proposed approximation numerically highly efficient. The total energies obtained for confined two-dimensional systems are in a good agreement with the standard local-density approximation within density-functional theory, and considerably more accurate than the Thomas-Fermi approximation.

References in corpus (4)

• Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories
• Exchange-energy functionals for finite two-dimensional systems
• Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
• Local correlation functional for electrons in two dimensions