Addressing quantum embedding via the algorithmic inversion of dynamical potentials
ORAL
Abstract
Quantum embedding formulations are used to describe physical systems immersed in a bath. Frequency-dependent potentials are needed to couple the two systems and appear in embedding formalisms such as many-body perturbation theory, dynamical mean-field theory, electron-boson coupling, or spectral potentials. Once formulated (e.g., via. many-body perturbation theory), the solution at all frequencies of non-linear-Dyson-like equations is needed to retrieve spectral and thermodynamic quantities for the system studied. Here we apply the algorithmic inversion method to solve exactly and at all frequencies Dyson-like equations for homogeneous systems, with application to the homogeneous electron gas, and discuss the extension to non-homogeneous systems.
*We gratefully acknowledge financial support from the Swiss National Science Foundation (SNSF -- project number 200021_179138)
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Publication: T. Chiarotti, N. Marzari, and A. Ferretti, https://arxiv.org/abs/2109.07972
Presenters
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Tommaso Chiarotti
- Ecole Polytechnique Federale de Lausanne