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Dynamic Response of an Electron Gas: Towards the Exact Exchange-Correlation Kernel.

作者信息

LeBlanc James P F, Chen Kun, Haule Kristjan, Prokof'ev Nikolay V, Tupitsyn Igor S

机构信息

Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John's, Newfoundland & Labrador, Canada A1B 3X7.

Center for Computational Quantum Physics, Flatiron Institute, 162 Fifth Avenue, New York, New York 1001, USA.

出版信息

Phys Rev Lett. 2022 Dec 9;129(24):246401. doi: 10.1103/PhysRevLett.129.246401.

Abstract

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.

摘要

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