Correlation energy of finite two-dimensional systems: Toward nonempirical 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. 88, 1053 (1988)], to the two-dimensional case. The approach is based on nonempirical 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.
- Publication:
-
Physical Review B
- Pub Date:
- February 2009
- DOI:
- 10.1103/PhysRevB.79.085316
- arXiv:
- arXiv:0810.4283
- Bibcode:
- 2009PhRvB..79h5316P
- Keywords:
-
- 73.21.La;
- 71.15.Mb;
- Quantum dots;
- Density functional theory local density approximation gradient and other corrections;
- Condensed Matter - Strongly Correlated Electrons
- E-Print:
- Phys. Rev. B 79, 085316 (2009)