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- W4387322851 abstract "We propose a simple and efficient method to calculate the electronic self-energy in dynamical mean-field theory (DMFT), addressing a numerical instability often encountered when solving the Dyson equation. Our approach formulates the Dyson equation as a constrained optimization problem with a simple quadratic objective. The constraints on the self-energy are obtained via direct measurement of the leading order terms of its asymptotic expansion within a continuous time quantum Monte Carlo framework, and the use of the compact discrete Lehmann representation of the self-energy yields an optimization problem in a modest number of unknowns. We benchmark our method for the non-interacting Bethe lattice, as well as DMFT calculations for both model systems and textit{ab-initio} applications." @default.
- W4387322851 created "2023-10-04" @default.
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- W4387322851 date "2023-10-02" @default.
- W4387322851 modified "2023-10-05" @default.
- W4387322851 title "Stabilizing the calculation of the self-energy in dynamical mean-field theory using constrained residual minimization" @default.
- W4387322851 doi "https://doi.org/10.48550/arxiv.2310.01266" @default.
- W4387322851 hasPublicationYear "2023" @default.
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