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.

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Cited by in corpus (14)

• Visualization and analysis of the Kohn-Sham kinetic energy density and its orbital-free description in molecules
• Parameter-free density functional for the correlation energy in two dimensions
• Self-consistent calculation of electric potentials in Hall devices
• Leading gradient correction to the kinetic energy for two-dimensional fermion gases
• Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
• Semi-local density functional for the exchange-correlation energy of electrons in two dimensions
• Semi-local Exchange Energy Functional For Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
• Colle-Salvetti-type local density functional for the exchange-correlation energy in two dimensions
• Exchange and correlation energy functionals for two-dimensional open-shell systems
• Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation
• Large two-dimensional electronic systems: Self-consistent energies and densities at low cost
• Inhomogeneity Induced and Appropriately Parameterized Semilocal Exchange and Correlation Energy Functionals in Two-Dimensions
• Density-functional approach to the band gaps of finite and periodic two-dimensional systems
• Energy spectrum and structure of one-dimensional few-electron Wigner crystals with and without coupling to light in cavity