Exchange-correlation energy for the 3D homogeneous electron gas at arbitrary temperature

Abstract

We fit finite-temperature path integral Monte Carlo calculations of the exchange-correlation energy of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r_{s} = (3/4πn)^{1/3} a_{B}^{-1} < 40 and Θ= T/T_{F} > 0.0625). In doing so, we construct a Padé approximant which collapses to Debye-Hückel theory in the high-temperature, low-density limit. Likewise, the zero-temperature limit matches the numerical results of ground-state quantum Monte Carlo, as well as analytical results in the high-density limit.

4 pages, 3 figures

References in corpus (2)

• Path Integral Monte Carlo Simulation of the Warm-Dense Homogeneous Electron Gas
• Classical Representation of a Quantum System at Equilibrium: Applications

Cited by in corpus (42)

• The Uniform Electron Gas at Warm Dense Matter Conditions
• Local Spin-density Approximation Exchange-correlation Free-energy Functional
• Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions
• Ab initio simulation of warm dense matter
• Ab initio thermodynamic results for the degenerate electron gas at finite temperature
• X-Ray Thomson scattering without the Chihara decomposition
• 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
• Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
• First principles simulations of dense hydrogen
• Interaction Picture Density Matrix Quantum Monte Carlo
• Ab Initio Quantum Monte Carlo Simulations of the Uniform Electron Gas without Fixed Nodes
• Uniform electron gas at finite temperatures
• Permutation blocking path integral Monte Carlo approach to the uniform electron gas at finite temperature
• Predicting electronic structures at any length scale with machine learning
• \emph{Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas
• Influence of finite temperature Exchange-Correlation effects in Hydrogen
• Discovering correlated fermions using quantum Monte Carlo
• Fermionic path integral Monte Carlo results for the uniform electron gas at finite temperature
• Ab Initio Quantum Monte Carlo Simulations of the Uniform Electron Gas without Fixed Nodes II: Unpolarized Case
• Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks
• Ultrafast Dynamics of Strongly Correlated Fermions -- Nonequilibrium Green Functions and Selfenergy Approximations
• A Phaseless Auxiliary-Field Quantum Monte Carlo Perspective on the Uniform Electron Gas at Finite Temperatures: Issues, Observations, and Benchmark Study
• Coupled Cluster Channels in the Homogeneous Electron Gas
• Restricted configuration path integral Monte Carlo
• Towards ab initio thermodynamics of the electron gas at strong degeneracy
• The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
• Density-Functional Theory of Thermoelectric Phenomena
• Free Energy of the Uniform Electron Gas: Testing Analytical Models against First Principle Results
• Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
• Improved Equation of State for Finite-Temperature Spin-Polarized Electron Liquids on the Basis of Singwi-Tosi-Land-Sjolander Approximation
• Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems
• Peculiarities of momentum distribution functions of strongly correlated charged fermions
• Equation of state, phonons, and lattice stability of ultra-fast warm dense matter
• Effective mass of quasiparticles from thermodynamics
• Functional theories of thermoelectric phenomena
• Training-free hyperparameter optimization of neural networks for electronic structures in matter
• Two-temperature pair potentials and phonon spectra for simple metals in the warm dense matter regime
• Kinetic energy functionals and the $N$-representability of the electron pair-density given by the classical map hyper-netted-chain (CHNC) method
• Energy response and spatial alignment of the perturbed electron gas
• Plasma living in a curved surface at some special temperature
• Sign learning kink-based (SiLK) quantum Monte Carlo for molecular systems