Electronic Density Response of Warm Dense Matter
arXiv:2212.08326 · doi:10.1063/5.0138955
Abstract
Matter at extreme temperatures and pressures -- commonly known as warm dense matter (WDM) in the literature -- is ubiquitous throughout our Universe and occurs in a number of astrophysical objects such as giant planet interiors and brown dwarfs. Moreover, WDM is very important for technological applications such as inertial confinement fusion, and is realized in the laboratory using different techniques. A particularly important property for the understanding of WDM is given by its electronic density response to an external perturbation. Such response properties are routinely probed in x-ray Thomson scattering (XRTS) experiments, and, in addition, are central for the theoretical description of WDM. In this work, we give an overview of a number of recent developments in this field. To this end, we summarize the relevant theoretical background, covering the regime of linear-response theory as well as nonlinear effects, the fully dynamic response and its static, time-independent limit, and the connection between density response properties and imaginary-time correlation functions (ITCF). In addition, we introduce the most important numerical simulation techniques including ab initio path integral Monte Carlo (PIMC) simulations and different thermal density functional theory (DFT) approaches. From a practical perspective, we present a variety of simulation results for different density response properties, covering the archetypal model of the uniform electron gas and realistic WDM systems such as hydrogen. Moreover, we show how the concept of ITCFs can be used to infer the temperature from XRTS measurements of arbitrarily complex systems without the need for any models or approximations. Finally, we outline a strategy for future developments based on the close interplay between simulations and experiments.
References in corpus (63)
- Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations
- Worm Algorithm and Diagrammatic Monte Carlo: A New Approach to Continuous-Space Path Integral Monte Carlo Simulations
- Real-time path integral approach to nonequilibrium many-body quantum system
- Path Integral Monte Carlo Simulation of the Warm-Dense Homogeneous Electron Gas
- A Massive Core in Jupiter Predicted From First-Principles Simulations
- The Finite Size Error in Many-body Simulations with long-Ranged Interactions
- Hydrogen-Helium Mixtures in the Interiors of Giant Planets
- {\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit
- Dynamical correlations and collective excitations of Yukawa liquids
- Ab initio equations of state for hydrogen (H-REOS.3) and helium (He-REOS.3) and their implications for the interior of Brown Dwarfs
- Electronic stopping power in gold: The role of d electrons and the H/He anomaly
- All-Electron Path Integral Monte Carlo Simulations of Warm Dense Matter: Application to Water and Carbon Plasmas
- Finite-size correction in many-body electronic structure calculations
- Structure, superfluidity, and quantum melting of hydrogen clusters
- Machine learning and density functional theory
- First-Principles Equation of State Database for Warm Dense Matter Computation
- Beyond the GW approximation: combining correlation channels
- Numerical analytic continuation: Answers to well-posed questions
- Reconciliation of experiments and theory on transport properties of iron and the geodynamo
- Ab Initio Path Integral Monte Carlo Approach to the Static and Dynamic Density Response of the Uniform Electron Gas
- Extended First-Principles Molecular Dynamics Method From Cold Materials to Hot Dense Plasmas
- Accurate Temperature Diagnostics for Matter under Extreme Conditions
- Nonlinear Electronic Density Response in Warm Dense Matter
- Quantum-mechanical calculation of ionization potential lowering in dense plasmas
- 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
- Path Integral Monte Carlo Simulation of Degenerate Electrons: Permutation-Cycle Properties
- Gradient corrections to the exchange-correlation free energy
- Configuration Path Integral Monte Carlo Approach to the Static Density Response of the Warm Dense Electron Gas
- Simple dynamic exchange-correlation kernel of the uniform electron gas
- Permutation Blocking Path Integral Monte Carlo approach to the Static Density Response of the Warm Dense Electron Gas
- Emergence of an excitonic collective mode in the dilute electron gas
- Diamond formation from hydrocarbon mixtures in planets
- 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
- Collective modes in simple melts: Transition from soft spheres to the hard sphere limit
- Towards ab initio thermodynamics of the electron gas at strong degeneracy
- Overcoming finite-size effects in electronic structure simulations at extreme conditions
- Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter
- Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas
- Ab initio Static Exchange-Correlation Kernel across Jacob's Ladder without functional derivatives
- The Relevance of Electronic Perturbations in the Warm Dense Electron Gas
- Metallization of Shock-Compressed Liquid Ammonia
- Integral equation theory based dielectric scheme for strongly coupled electron liquids
- Constraint-based Wavevector- and Frequency-dependent Exchange-Correlation Kernel of the Uniform Electron Gas
- Classical Representation of a Quantum System at Equilibrium: Theory
- Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions
- Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory
- Nonlinear Density Response and Higher Order Correlation Functions in Warm Dense Matter
- Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
- Nonlinear response theories and effective pair potentials
- Mixed Stochastic-Deterministic Time-Dependent Density Functional Theory: Application to Stopping Power of Warm Dense Carbon
- Onset of negative dispersion in one-component-plasma revisited
- Nonlinear electromagnetic response of a uniform electron gas
- Dispersion relations of Yukawa fluids at weak and moderate coupling
- Ab initio Path Integral Monte Carlo Simulations of Quantum Dipole Systems in Traps: Superfluidity, Quantum Statistics, and Structural Properties
- Three-body correlations in nonlinear response of correlated quantum liquid
- Platform for Probing Radiation Transport Properties of Hydrogen at Conditions Found in the Deep Interiors of Red Dwarfs
- Description of longitudinal modes in moderately coupled Yukawa systems with the static local field correction
- A Machine-Learning Surrogate Model for ab initio Electronic Correlations at Extreme Conditions
- Temperature analysis of X-ray Thomson scattering data
- Density-Functional-Theory Perspective on the Non-Linear Response of Correlated Electrons Across Temperature Regimes
Cited by in corpus (32)
- First principles simulations of dense hydrogen
- Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels
- Prediction of a roton-type feature in warm dense hydrogen
- Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
- Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids
- Improving dynamic collision frequencies: impacts on dynamic structure factors and stopping powers in warm dense matter
- Model-free Rayleigh weight from x-ray Thomson scattering measurements
- Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen
- Imposing Correct Jellium Response Is Key to Predict the Density Response by Orbital-Free DFT
- Fourier-Matsubara series expansion for imaginary-time correlation functions
- Transferable Interatomic Potentials for Aluminum from Ambient Conditions to Warm Dense Matter
- Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid
- Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
- Applying the Liouville-Lanczos Method of Time-Dependent Density-Functional Theory to Warm Dense Matter
- Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations
- 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
- Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
- Quantum Fluctuations Approach to the Nonequilibrium -Approximation II: Density Correlations and Dynamic Structure Factor
- Ultrafast Heating Induced Suppression of -band Dominance in the Electronic Excitation Spectrum of Cuprum
- Two-Time Quantum Fluctuations Approach and its Relation to the Bethe--Salpeter Equation
- Electrical Conductivity of Warm Dense Hydrogen from Ohm's Law and Time-Dependent Density Functional Theory
- Exchange-correlation entropy from the generalized thermal adiabatic connection
- Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma
- On the density-density correlations of the non-interacting finite temperature electron gas
- Low-energy peak in the one-particle spectral function of the electron gas at metallic densities
- Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme
- Ab initio density functional theory approach to warm dense hydrogen: from density response to electronic correlations
- Generalized density functional theory framework for the non-linear density response of quantum many-body systems
- Kinetic contribution to the arbitrary order odd frequency moments of the dynamic structure factor
- PyLIT: Reformulation and implementation of the analytic continuation problem using kernel representation methods
- The noiseless limit and improved-prior limit of the maximum entropy method and their implications for the analytic continuation problem