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

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 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.

Main text: 5 pages, 5 figures; Supplemental: 2 pages, 4 figures

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• Real-frequency quantum field theory applied to the single-impurity Anderson model
• A Snapshot of Time-Dependent Density-Functional Theory
• Renormalized Perturbation Theory for Fast Evaluation of Feynman Diagrams on the Real Frequency Axis
• Low-energy peak in the one-particle spectral function of the electron gas at metallic densities
• Interaction-enhanced nesting in Spin-Fermion and Fermi-Hubbard models
• Solving the Bethe-Salpeter Equation in Real Frequencies at Finite Temperature
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• All electron GW with linearized augmented plane waves for metals and semiconductors
• Matsubara-Frequency-Resolved Spin Exchange-Correlation Kernel for the Three-Dimensional Uniform Electron Gas
• Computation Kernel for Feynman Diagrams
• Majorana Diagrammatics for Quantum Spin-1/2 Models