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.

Link: https://doi.org/10.1103/PhysRevLett.129.246401

Data: https://drive.google.com/drive/u/1/folders/1QzZo0TG-hgpSCtO-hfBoZXUjjLDVsCQ6

Codes: https://github.com/jpfleblanc/hf_cuba_mpi