Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling

Abstract

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. {\bf 88}, 1053 (1988)], to the two-dimensional case. The approach aims to non-empirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.

References in corpus (6)

• Full configuration interaction approach to the few-electron problem in artificial atoms
• Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories
• Exchange-energy functionals for finite two-dimensional systems
• Density gradients for the exchange energy of electrons in two dimensions
• Local correlation functional for electrons in two dimensions
• Electron localization function for two-dimensional systems

Cited by in corpus (3)

• Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
• Exact Coulomb cutoff technique for supercell calculations in two dimensions
• Orbital-free energy functional for electrons in two dimensions