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    Exchange-Correlation Energy from Green’s Functions

    Steven Crisostomo1,*, E. K. U. Gross2, and Kieron Burke1,3

    • *Contact author: crisosts@uci.edu

    Phys. Rev. Lett. 133, 086401 – Published 21 August, 2024

    DOI: https://doi.org/10.1103/PhysRevLett.133.086401

    Abstract

    Density-functional theory (DFT) calculations yield useful ground-state energies and densities, while Green’s function techniques (such as GW) are mostly used to produce spectral functions. From the Galitskii-Migdal formula, we extract the exchange correlation of DFT directly from a Green’s function. This spectral representation provides an alternative to the fluctuation-dissipation theorem of DFT, identifying distinct single-particle and many-particle contributions. Results are illustrated on the uniform electron gas and the two-site Hubbard model.

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