Exchange-energy functionals for finite two-dimensional systems

Details Exchange-energy functionals for finite two-dimensional systems Exchange-energy functionals for finite two-dimensional systems

2007-10-03

arxiv.org/abs/0710.0718v3

Phys. Rev. B 76, 235314 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 3 figures

Scientific paper

10.1103/PhysRevB.76.235314

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.

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