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arXiv · 1004.2264

Time Dependent Density Functional Theory meets Dynamical Mean Field Theory: Real-Time Dynamics for the 3D Hubbard model

Daniel Karlsson·Antonio Privitera·Claudio Verdozzi
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Abstract

We introduce a new class of exchange-correlation potentials for a static and time-dependent Density Functional Theory of strongly correlated systems in 3D. The potentials are obtained via Dynamical Mean Field Theory and, for strong enough interactions, exhibit a discontinuity at half filling density, a signature of the Mott transition. For time-dependent perturbations, the dynamics is described in the adiabatic local density approximation. Results from the new scheme compare very favorably to exact ones in clusters. As an application, we study Bloch oscillations in the 3D Hubbard model.

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Daniel Karlsson, Antonio Privitera, Claudio Verdozzi. 2011-03-15. Time Dependent Density Functional Theory meets Dynamical Mean Field Theory: Real-Time Dynamics for the 3D Hubbard model. https://doi.org/10.1103/physrevlett.106.116401

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