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 (11)

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Cited by in corpus (17)

• Density functional theory for strongly-interacting electrons: Perspectives for Physics and Chemistry
• Universal correction for the Becke-Johnson exchange potential
• Becke-Johnson-type exchange potential for two-dimensional systems
• 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
• Parameter-free density functional for the correlation energy in two dimensions
• Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
• Semi-local density functional for the exchange-correlation energy of electrons in two dimensions
• First-principles quantum corrections for carrier correlations in double-layer two-dimensional heterostructures
• Semi-local Exchange Energy Functional For Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
• Correlation energy of anisotropic quantum dots
• Colle-Salvetti-type local density functional for the exchange-correlation energy in two dimensions
• Exchange and correlation energy functionals for two-dimensional open-shell systems
• Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation
• Inhomogeneity Induced and Appropriately Parameterized Semilocal Exchange and Correlation Energy Functionals in Two-Dimensions
• Density-functional approach to the band gaps of finite and periodic two-dimensional systems