Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids

Abstract

A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. The self-consistent scheme features a complicated dynamic local field correction functional and its formulation is guided by ab initio path integral Monte Carlo simulations. Remarkably, our scheme is capable to provide unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.

arXiv comment8 pages, 3 figures

References in corpus (44)

• Zero Temperature Phases of the Electron Gas
• Path Integral Monte Carlo Simulation of the Warm-Dense Homogeneous Electron Gas
• The Uniform Electron Gas at Warm Dense Matter Conditions
• A Massive Core in Jupiter Predicted From First-Principles Simulations
• Local Spin-density Approximation Exchange-correlation Free-energy Functional
• FPEOS: A First-Principles Equation of State Table of Deuterium for Inertial Confinement Fusion Applications
• Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions
• Ab initio simulation of warm dense matter
• A new equation of state for dense hydrogen-helium mixtures
• {\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit
• \textit{Ab Initio} Path Integral Monte Carlo Results for the Dynamic Structure Factor of Correlated Electrons: From the Electron Liquid to Warm Dense Matter
• The Fermion Sign Problem in Path Integral Monte Carlo Simulations: Quantum Dots, Ultracold Atoms, and Warm Dense Matter
• Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids
• Accurate exchange-correlation energies for the warm dense electron gas
• Electronic Density Response of Warm Dense Matter
• Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
• Effective Static Approximation: A Fast and Reliable Tool for Warm Dense Matter Theory
• Ab Initio Path Integral Monte Carlo Approach to the Static and Dynamic Density Response of the Uniform Electron Gas
• Nonlinear Electronic Density Response in Warm Dense Matter
• Uniform electron gas at finite temperatures
• Analytical representation of the Local Field Correction of the Uniform Electron Gas within the Effective Static Approximation
• Dynamic properties of the warm dense electron gas: an ab initio path integral Monte Carlo approach
• The Strongly Coupled Electron Liquid: ab initio Path Integral Monte Carlo Simulations and Dielectric Theories
• Emergence of an excitonic collective mode in the dilute electron gas
• Density Response of the Warm Dense Electron Gas beyond Linear Response Theory: Excitation of Harmonics
• A Phaseless Auxiliary-Field Quantum Monte Carlo Perspective on the Uniform Electron Gas at Finite Temperatures: Issues, Observations, and Benchmark Study
• Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas
• Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration
• Restricted configuration path integral Monte Carlo
• Overcoming finite-size effects in electronic structure simulations at extreme conditions
• The Hartree-Fock ground state of the three-dimensional electron gas
• Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
• Integral equation theory based dielectric scheme for strongly coupled electron liquids
• Low-density Phase Diagram of the Three-Dimensional Electron Gas
• Itinerant-electron magnetism: the importance of many-body correlations
• Classical bridge functions in classical and quantum plasma liquids
• Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
• Isomorph-based empirically modified hypernetted-chain approach for strongly coupled Yukawa one-component plasmas
• Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. I. Intermediate and long range
• Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. II. Short range
• First-principles wavevector- and frequency-dependent exchange-correlation kernel for jellium at all densities
• On the advanced integral equation theory description of dense Yukawa one-component plasma liquids
• Description of longitudinal modes in moderately coupled Yukawa systems with the static local field correction
• Short-range excitonic phenomena in low-density metals

Cited by in corpus (8)

• First principles simulations of dense hydrogen
• Unravelling the nonlinear ideal density response of many-body systems
• Fourier-Matsubara series expansion for imaginary-time correlation functions
• Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid
• Estimates of the dynamic structure factor for the finite temperature electron liquid via analytic continuation of path integral Monte Carlo data
• Energy response and spatial alignment of the perturbed electron gas
• On the density-density correlations of the non-interacting finite temperature electron gas
• Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme