AI Article Synopsis

  • Precise calculations of the dynamics in the homogeneous electron gas are crucial for designing and understanding new materials.
  • A new diagrammatic Monte Carlo method is introduced to compute responses directly in the real frequency domain using Feynman diagrams, focusing on charge responses at moderate electron density.
  • The findings help in extracting the frequency dependence of the exchange-correlation kernel, which is essential for improving time-dependent density functional theory in material dynamics, analogous to how ground state energies benefit density functional theory.

Article 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.

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevLett.129.246401DOI Listing

Publication Analysis

Top Keywords

electron gas
8
exchange-correlation kernel
8
density functional
8
functional theory
8
dynamic response
4
response electron
4
gas exact
4
exact exchange-correlation
4
kernel precise
4
precise calculations
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!