Exchange-Correlation Energy from Green's Functions

Steven Crisostomo*, E. K.U. Gross, Kieron Burke

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number086401
JournalPhysical Review Letters
Volume133
Issue number8
DOIs
StatePublished - 23 Aug 2024

Bibliographical note

Publisher Copyright:
© 2024 American Physical Society.

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