First principles study of correlation effects in solids
ORAL
Abstract
Designing reliable, predictive, and computationally affordable methods to address electronic correlations in realistic solids is an ongoing
challenge for quantum chemistry, condensed matter physics, and material science. Recent advances have made computations with density
functional theory (DFT) routine and Green's function based approaches such as GW feasible. In this talk we present the finite-temperature statistical mechanics formulation of perturbation theory self-consistently to second order, and obtain a solution for periodic three-dimensional solids in a fully self-consistent conserving approximation.
challenge for quantum chemistry, condensed matter physics, and material science. Recent advances have made computations with density
functional theory (DFT) routine and Green's function based approaches such as GW feasible. In this talk we present the finite-temperature statistical mechanics formulation of perturbation theory self-consistently to second order, and obtain a solution for periodic three-dimensional solids in a fully self-consistent conserving approximation.
*This project was supported by the Simons Foundation via the Simons Collaboration on the Many-Electron Problem.
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Presenters
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Sergei Iskakov
- University of Michigan