Published August 21, 2024 | Version v1

Exchange-Correlation Energy from Green's Functions

  • 1. ROR icon Hebrew University of Jerusalem

Description

Density-functional theory (DFT) calculations yield useful ground-state energies and densities, while Green’s function techniques (such as 𝐺⁡𝑊) 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.

Notes

This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. ERC-2017-AdG-788890).

Files

PhysRevLett_v133a086401y2024.pdf

Files (500.1 kB)

Name Size
md5:072f2b1cc43d36d18ca265c029f3d66b
500.1 kB Preview Download

Additional details

Funding

European Commission
FACT - Factorizing the wave function of large quantum systems 788890