Exchange-energy functionals for finite two-dimensional systems

Abstract

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.

5 pages, 3 figures

References in corpus (1)

• Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories

Cited by in corpus (6)

• Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
• Density gradients for the exchange energy of electrons in two dimensions
• Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling
• Local correlation functional for electrons in two dimensions
• Exact Coulomb cutoff technique for supercell calculations in two dimensions
• Orbital-free energy functional for electrons in two dimensions