The uniform electron gas at warm dense matter conditions
From MaRDI portal
Publication:1653641
DOI10.1016/J.PHYSREP.2018.04.001zbMATH Open1392.82055arXiv1801.05783OpenAlexW2996080050MaRDI QIDQ1653641FDOQ1653641
Authors: Tobias Dornheim, Simon Groth, M. Bonitz 
Publication date: 6 August 2018
Published in: Physics Reports (Search for Journal in Brave)
Abstract: We review the uniform electron gas (UEG) at finite temperature and over a broad density range relevant for warm dense matter (WDM) applications. We provide an overview of different simulation techniques, focusing on recent developments in the dielectric formalism and quantum Monte Carlo (QMC). Our primary focus is on two novel QMC methods: Permutation blocking path integral MC (PB-PIMC) and configuration PIMC (CPIMC). In fact, a combination of PB-PIMC and CPIMC has allowed for a highly accurate description of the warm dense UEG over a broad density-temperature range. We are able to effectively avoid the notorious fermion sign problem, without invoking uncontrolled approximations such as the fixed node approximation. Furthermore, a new finite-size correction scheme is presented that makes it possible to treat the UEG in the thermodynamic limit without loss of accuracy. In addition, we in detail discuss the construction of a parametrization of the exchange-correlation free energy that provides a complete description of the UEG and is of crucial importance as input for the simulation of real WDM applications. Further, we test previous theories, including restricted PIMC, finite-temperature Green functions, the classical mapping by Perrot and Dharma-wardana, and various dielectric methods such as the random phase approximation, or the Singwi-Tosi-Land-Sj"olander, Vashishta-Singwi and the recent Tanaka scheme for the local field correction. Thus, for the first time, thorough benchmarks of important approximation schemes regarding various quantities such as different energies, in particular the exchange-correlation free energy, and the static structure factor, are possible. Finally, we outline a way how to rigorously extend our QMC studies to the inhomogeneous electron gas and present first ab initio data for the static density response and for the static local field correction.
Full work available at URL: https://arxiv.org/abs/1801.05783
Recommendations
Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of gases (82D05) Statistical mechanics of plasmas (82D10)
Cites Work
- Implementation of the maximum entropy method for analytic continuation
- Equation of state calculations by fast computing machines
- On the Product of Semi-Groups of Operators
- Theory of Superconductivity
- A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas
- Title not available (Why is that?)
- Correlation Energy of a Free Electron Gas
- Title not available (Why is that?)
- Shock waves and equations of state of matter
- Correlation Energy of an Electron Gas at High Density
- The thermodynamic limit for jellium
- Title not available (Why is that?)
- Ewald summation techniques in perspective: A survey
- Frontiers and challenges in warm dense matter
- Finite-temperature orbital-free DFT molecular dynamics: coupling profess and quantum espresso
- Nonequilibrium Green's functions approach to inhomogeneous systems.
- Klassische statistische Mechanik der Teilchen‐Mischungen mit sortenabhängigen weitreichenden zwischenmolekularen Wechselwirkungen
- A Collective Description of Electron Interactions: II. Collective<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>vs</mml:mi></mml:math>Individual Particle Aspects of the Interactions
- Quantum Statistics of Interacting Particles; General Theory and Some Remarks on Properties of an Electron Gas
- Nonequilibrium many-body theory of quantum systems. A modern introduction
- Title not available (Why is that?)
- An optimized method for treating long-range potentials
- Simulation of excited states and the sign problem in the path integral Monte Carlo method
- Bridging time scales: Molecular simulations for the next decade
- Quantum kinetic theory
- Quantum statistics of dense gases and nonideal plasmas
- Cluster expansion for ideal Fermi systems in the `fixed-node approximation'
- Kadanoff-Baym equations and non-Markovian Boltzmann equation in generalized \(T\)-matrix approximation
- The high-density electron gas: how momentum distribution \(n (k)\) and static structure factor \(S(q)\) are mutually related through the off-shell self-energy \(\Sigma (k, \omega )\)
- Overcoming the fermion sign problem in homogeneous systems
- MULTILEVEL BLOCKING MONTE CARLO SIMULATIONS FOR QUANTUM DOTS
- Equation of state and correlation energy of dense plasmas
- Improved Kelbg potential for correlated Coulomb systems
- Title not available (Why is that?)
- Construction of a Monte-Carlo method for calculating Feynman integrals
- Effective computer simulation of strongly coupled Coulomb fluids
- Path integral method in quantum statistics problems: generalized ensemble Monte Carlo and density functional approach
- Quantum corrections to the distribution function of particles over momentum in dense media
Cited In (12)
- Homogeneous electron liquid in arbitrary dimensions beyond the random phase approximation
- Pressure of Coulomb systems with volume-dependent long-range potentials
- Monte Carlo simulations of the electron short-range quantum ordering in Coulomb systems and the `fermionic sign problem'
- Density of states of a 2D system of soft-sphere fermions by path integral Monte Carlo simulations
- Fermion sign problem in path integral Monte Carlo simulations: grand-canonical ensemble
- Title not available (Why is that?)
- Calculations on the stopping power of the warm dense matter at the Bragg peak
- Warm relativistic electron fluid. II. Small-m/e limit
- Revealing non-equilibrium and relaxation in laser heated matter
- \texttt{KelbgLIP}: program implementation of the high-temperature Kelbg density matrix for path integral and molecular dynamics simulations with long-range Coulomb interaction
- Phase interface conditions in a massless electron-positron gas
- The electron density in intermediate scales
Uses Software
This page was built for publication: The uniform electron gas at warm dense matter conditions
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1653641)
