Exchange-Correlation Energy from Green’s Functions

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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Publication Details

Journal
Physical Review Letters
Published
2024-08-21
DOI
https://doi.org/10.1103/physrevlett.133.086401
Citations
3
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
1.01

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article

Exchange-Correlation Energy from Green’s Functions

E. K. U. Gross, Steven Crisostomo, Kieron Burke
3 citations
Physical Review Letters
Advanced Chemical Physics Studies
1.01
article

Exchange-Correlation Energy from Green’s Functions

E. K. U. Gross, Steven Crisostomo, Kieron Burke
article en
3 citations

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.

Physical Review LettersVol. 133(8)
Hebrew University of Jerusalem (IL), University of California, Irvine (US)
National Science Foundation, Horizon 2020 Framework Programme, European Research Council
Affordable and clean energy
Openalex Percentile: Top 25%
Advanced Chemical Physics Studies
1.01
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