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arXiv · 2403.03364

Exchange-correlation energy from Green's functions

Steven Crisostomo·E. K. U. Gross·Kieron Burke
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Abstract

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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Steven Crisostomo, E. K. U. Gross, Kieron Burke. 2024-03-12. Exchange-correlation energy from Green's functions. https://arxiv.org/abs/2403.03364

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