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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| container_end_page | 246401 |
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| container_issue | 24 |
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| container_title | Physical review letters |
| container_volume | 129 |
| creator | LeBlanc, James P F Chen, Kun Haule, Kristjan Prokof'ev, Nikolay V Tupitsyn, Igor S |
| description | 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. |
| doi_str_mv | 10.1103/PhysRevLett.129.246401 |
| format | Article |
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| ispartof | Physical review letters, 2022-12, Vol.129 (24), p.246401-246401, Article 246401 |
| issn | 0031-9007 1079-7114 |
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| source | Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals |
| subjects | charge CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY density functional theory development diagrammatic Monte Carlo dielectric properties electric polarization electron-correlation calculations Feynman diagrams finite temperature field theory strongly correlated systems |
| title | Dynamic Response of an Electron Gas: Towards the Exact Exchange-Correlation Kernel |
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