Exchange-Correlation Energy from Green's Functions

被引:0
作者
Crisostomo, Steven [1 ]
Gross, E.K.U. [2 ]
Burke, Kieron [1 ,3 ]
机构
[1] Department of Physics and Astronomy, University of California, Irvine, 92697, CA
[2] Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, the Hebrew University of Jerusalem, Jerusalem
[3] Department of Chemistry, University of California, Irvine, Irvine, 92697, CA
基金
欧盟地平线“2020”; 美国国家科学基金会; 欧洲研究理事会;
关键词
D O I
10.1103/PhysRevLett.133.086401
中图分类号
学科分类号
摘要
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. © 2024 American Physical Society.
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