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.
Original language | English |
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Article number | 085316 |
Number of pages | 6 |
Journal | Physical Review B |
Volume | 79 |
Issue number | 8 |
DOIs | |
Publication status | Published - Feb 2009 |
Externally published | Yes |
Publication type | A1 Journal article-refereed |
Keywords
- density functional theory
- electron spin polarisation
- ground states
- semiconductor quantum dots
- strongly correlated electron systems
- two-dimensional electron gas
- DENSITY-FUNCTIONAL THEORY
- COORDINATE-SPACE MODEL
- QUANTUM DOTS
- ELECTRON-GAS
- OCTOPUS
- TOOL