Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium?
Research output: Contribution to journal › Article
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work. © 2016 American Physical Society.
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Translated title of the contribution||Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium?: -|
|Number of pages||5|
|Journal||Physical Review Letters|
|Publication status||Published - 2016 Jun 9|