Ab initio quantum Monte Carlo simulation of the warm dense electron gas

Dornheim, Tobias; Groth, Simon; Malone, Fionn D.; Schoof, Tim; Sjostrom, Travis; Foulkes, W. M. C.; Bonitz, Michael

doi:10.1063/1.4977920

Title: Ab initio quantum Monte Carlo simulation of the warm dense electron gas

Authors:

Dornheim, Tobias ^[1]; Groth, Simon ^[1];

^[2]; Schoof, Tim ^[1]; Sjostrom, Travis ^[3];

^[2];

^[1]

Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany
Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

Publication Date:: Mon May 01 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1348276

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physics of Plasmas

Additional Journal Information:: Journal Name: Physics of Plasmas Journal Volume: 24 Journal Issue: 5; Journal ID: ISSN 1070-664X

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Dornheim, Tobias, Groth, Simon, Malone, Fionn D., Schoof, Tim, Sjostrom, Travis, Foulkes, W. M. C., and Bonitz, Michael. Ab initio quantum Monte Carlo simulation of the warm dense electron gas.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4977920.

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                    Dornheim, Tobias, Groth, Simon, Malone, Fionn D., Schoof, Tim, Sjostrom, Travis, Foulkes, W. M. C., & Bonitz, Michael. Ab initio quantum Monte Carlo simulation of the warm dense electron gas.  United States.  https://doi.org/10.1063/1.4977920

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                    Dornheim, Tobias, Groth, Simon, Malone, Fionn D., Schoof, Tim, Sjostrom, Travis, Foulkes, W. M. C., and Bonitz, Michael. Mon .  
"Ab initio quantum Monte Carlo simulation of the warm dense electron gas".  United States.  https://doi.org/10.1063/1.4977920.

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@article{osti_1348276,

  title        = {Ab initio quantum Monte Carlo simulation of the warm dense electron gas},

  author       = {Dornheim, Tobias and Groth, Simon and Malone, Fionn D. and Schoof, Tim and Sjostrom, Travis and Foulkes, W. M. C. and Bonitz, Michael},

  abstractNote = {},

  doi          = {10.1063/1.4977920},

  journal      = {Physics of Plasmas},

  number       = 5,

  volume       = 24,

  place        = {United States},

  year         = {Mon May 01 00:00:00 EDT 2017},

  month        = {Mon May 01 00:00:00 EDT 2017}

}

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Works referenced in this record:

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Title: Ab initio quantum Monte Carlo simulation of the warm dense electron gas

Citation Formats

Simple Classical Mapping of the Spin-Polarized Quantum Electron Gas: Distribution Functions and Local-Field Corrections journal, January 2000

Classical representation of a quantum system at equilibrium: Applications journal, March 2013

Probing the Interiors of the Ice Giants: Shock Compression of Water to 700 GPa and 3.8 g / cm 3 journal, February 2012

Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function journal, October 2014

Exchange-correlation potential for inhomogeneous electron systems at finite temperatures journal, December 1980

The effect of quantization on the full configuration interaction quantum Monte Carlo sign problem journal, January 2013

Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids journal, April 1981

Electron Correlations at Metallic Densities. V journal, August 1972

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions journal, July 2015

The Formation of Warm Dense Matter: Experimental Evidence for Electronic Bond Hardening in Gold journal, February 2009

Understanding Fuel Magnetization and Mix Using Secondary Nuclear Reactions in Magneto-Inertial Fusion journal, October 2014

Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions journal, January 1996

Analytical contradictions of the fixed-node density matrix journal, September 2014

Equation of State Calculations by Fast Computing Machines journal, June 1953

Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy: Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy journal, December 2014

Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models journal, June 2012

The uniform electron gas: The uniform electron gas journal, April 2016

Monte Carlo Calculation of Quantum Systems. II. Higher Order Correction journal, November 1984

High-order path-integral Monte Carlo methods for solving quantum dot problems journal, March 2015

Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter † journal, March 2016

Finite-Size Error in Many-Body Simulations with Long-Range Interactions journal, August 2006

Analyzing Quantum Correlations Made Simple: Analyzing Quantum Correlations Made Simple journal, May 2016

Monte Carlo Calculation of Quantum Systems journal, March 1984

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

Exact conditions on the temperature dependence of density functionals journal, May 2016

Configuration Path Integral Monte Carlo journal, April 2011

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space journal, January 2009

Finite-size errors in continuum quantum Monte Carlo calculations journal, September 2008

Electron Correlations at Metallic Densities journal, December 1968

A Massive Core in Jupiter Predicted from First-Principles Simulations journal, October 2008

Cluster expansion for ideal Fermi systems in the `fixed-node approximation' journal, February 2001

Gigabar Spherical Shock Generation on the OMEGA Laser journal, January 2015

Gradient symplectic algorithms for solving the Schrödinger equation with time-dependent potentials journal, July 2002

Equation of state for weakly coupled quantum plasmas journal, April 2004

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo journal, January 2010

Collective and single-particle excitations in two-dimensional dipolar Bose gases journal, October 2012

Variational density matrix method for warm, condensed matter: Application to dense hydrogen journal, April 2000

Ground State of the Electron Gas by a Stochastic Method journal, August 1980

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method journal, February 2012

Permutation blocking path integral Monte Carlo approach to the uniform electron gas at finite temperature journal, November 2015

Self-interaction correction to density-functional approximations for many-electron systems journal, May 1981

Inertially confined fusion plasmas dominated by alpha-particle self-heating journal, April 2016

Thermodynamic Properties and Plasma Phase Transition in dense Hydrogen journal, September 2004

Climbing the ladder of density functional approximations journal, September 2013

High order Chin actions in path integral Monte Carlo journal, May 2009

Gradient corrections to the exchange-correlation free energy journal, October 2014

Simulation of excited states and the sign problem in the path integral Monte Carlo method journal, July 2005

Interaction picture density matrix quantum Monte Carlo journal, July 2015

Simple Classical Mapping of the Spin-Polarized Quantum Electron Gas: Distribution Functions and Local-Field Corrections
journal, January 2000

Classical representation of a quantum system at equilibrium: Applications
journal, March 2013

Probing the Interiors of the Ice Giants: Shock Compression of Water to 700 GPa and $3.8 g / {cm}^{3}$
journal, February 2012

Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function
journal, October 2014

Exchange-correlation potential for inhomogeneous electron systems at finite temperatures
journal, December 1980

The effect of quantization on the full configuration interaction quantum Monte Carlo sign problem
journal, January 2013

Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids
journal, April 1981

Electron Correlations at Metallic Densities. V
journal, August 1972

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions
journal, July 2015

The Formation of Warm Dense Matter: Experimental Evidence for Electronic Bond Hardening in Gold
journal, February 2009

Understanding Fuel Magnetization and Mix Using Secondary Nuclear Reactions in Magneto-Inertial Fusion
journal, October 2014

Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions
journal, January 1996

Analytical contradictions of the fixed-node density matrix
journal, September 2014

Equation of State Calculations by Fast Computing Machines
journal, June 1953

Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy: Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy
journal, December 2014

Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models
journal, June 2012

The uniform electron gas: The uniform electron gas
journal, April 2016

Monte Carlo Calculation of Quantum Systems. II. Higher Order Correction
journal, November 1984

High-order path-integral Monte Carlo methods for solving quantum dot problems
journal, March 2015

Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter †
journal, March 2016

Finite-Size Error in Many-Body Simulations with Long-Range Interactions
journal, August 2006

Analyzing Quantum Correlations Made Simple: Analyzing Quantum Correlations Made Simple
journal, May 2016

Monte Carlo Calculation of Quantum Systems
journal, March 1984

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Exact conditions on the temperature dependence of density functionals
journal, May 2016

Configuration Path Integral Monte Carlo
journal, April 2011

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
journal, January 2009

Finite-size errors in continuum quantum Monte Carlo calculations
journal, September 2008

Electron Correlations at Metallic Densities
journal, December 1968

A Massive Core in Jupiter Predicted from First-Principles Simulations
journal, October 2008

Cluster expansion for ideal Fermi systems in the `fixed-node approximation'
journal, February 2001

Gigabar Spherical Shock Generation on the OMEGA Laser
journal, January 2015

Gradient symplectic algorithms for solving the Schrödinger equation with time-dependent potentials
journal, July 2002

Equation of state for weakly coupled quantum plasmas
journal, April 2004

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
journal, January 2010

Collective and single-particle excitations in two-dimensional dipolar Bose gases
journal, October 2012

Variational density matrix method for warm, condensed matter: Application to dense hydrogen
journal, April 2000

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method
journal, February 2012

Permutation blocking path integral Monte Carlo approach to the uniform electron gas at finite temperature
journal, November 2015

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981

Inertially confined fusion plasmas dominated by alpha-particle self-heating
journal, April 2016

Thermodynamic Properties and Plasma Phase Transition in dense Hydrogen
journal, September 2004

Climbing the ladder of density functional approximations
journal, September 2013

High order Chin actions in path integral Monte Carlo
journal, May 2009

Gradient corrections to the exchange-correlation free energy
journal, October 2014

Simulation of excited states and the sign problem in the path integral Monte Carlo method
journal, July 2005

Interaction picture density matrix quantum Monte Carlo
journal, July 2015