Exchange-correlation energy from Green's functions
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866917611232559104 |
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| author | Crisostomo, Steven Gross, E. K. U. Burke, Kieron |
| author_facet | Crisostomo, Steven Gross, E. K. U. Burke, Kieron |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2403_03364 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Exchange-correlation energy from Green's functions Crisostomo, Steven Gross, E. K. U. Burke, Kieron Chemical Physics Quantum Physics 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. |
| title | Exchange-correlation energy from Green's functions |
| topic | Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2403.03364 |