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.
Authors
- E. K. U. Gross (ORCID: https://orcid.org/0000-0002-0113-759X)
- Steven Crisostomo (ORCID: https://orcid.org/0000-0002-4563-2349)
- Kieron Burke (ORCID: https://orcid.org/0000-0002-6159-0054)
Institutions
- Hebrew University of Jerusalem (IL)
- University of California, Irvine (US)
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
Funders
- National Science Foundation
- Horizon 2020 Framework Programme
- European Research Council