Dynamic Response of an Electron Gas: Towards the Exact Exchange-Correlation Kernel
Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic Matsubara integration that allows us to compute frequency and moment...
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Veröffentlicht in: | Physical review letters 2022-12, Vol.129 (24), p.246401-246401, Article 246401 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic Matsubara integration that allows us to compute frequency and momentum resolved finite temperature response directly in the real frequency domain using a series of connected Feynman diagrams. The data for charge response at moderate electron density are used to extract the frequency dependence of the exchange-correlation kernel at finite momenta and temperature. These results are as important for development of the time-dependent density functional theory for materials dynamics as ground state energies are for the density functional theory. |
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ISSN: | 0031-9007 1079-7114 |
DOI: | 10.1103/PhysRevLett.129.246401 |