Fully consistent density functional theory determination of the insulator-metal transition boundary in warm dense hydrogen
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September 2020 |
High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition
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January 2017 |
Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces
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January 2016 |
Projector augmented-wave method
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December 1994 |
Shock Compression of Liquid Deuterium up to 1 TPa
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June 2019 |
An Equation of State for Low-Mass Stars and Giant Planets
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July 1995 |
Thermal hybrid exchange-correlation density functional for improving the description of warm dense matter
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June 2020 |
Equation of state of warm dense deuterium and its isotopes from density-functional theory molecular dynamics
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April 2016 |
Striking isotope effect on the metallization phase lines of liquid hydrogen and deuterium
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September 2018 |
i-PI 2.0: A universal force engine for advanced molecular simulations
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March 2019 |
Born-Oppenheimer molecular-dynamics simulations of finite systems: Structure and dynamics of ( O
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July 1993 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids
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April 1981 |
Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso
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December 2014 |
Accurate Computation of Vibronic Energies and of Some Expectation Values for H 2 , D 2 , and T 2
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December 1964 |
Two-temperature warm dense hydrogen as a test of quantum protons driven by orbital-free density functional theory electronic forces
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November 2020 |
A B I NITIO M OLECULAR D YNAMICS WITH D ENSITY F UNCTIONAL T HEORY
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October 2002 |
Issues and challenges in orbital-free density functional calculations
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December 2012 |
Insulator-metal transition in dense fluid deuterium
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August 2018 |
A Method of Bivariate Interpolation and Smooth Surface Fitting for Irregularly Distributed Data Points
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June 1978 |
The properties of hydrogen and helium under extreme conditions
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November 2012 |
First-principles equation of state database for warm dense matter computation
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January 2021 |
A Review of Equation-of-State Models for Inertial Confinement Fusion Materials
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September 2018 |
Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations
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October 2013 |
Unified Approach for Molecular Dynamics and Density-Functional Theory
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November 1985 |
Path integral Monte Carlo and density functional molecular dynamics simulations of hot, dense helium
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April 2009 |
Principal Hugoniot, reverberating wave, and mechanical reshock measurements of liquid deuterium to 400 GPa using plate impact techniques
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April 2004 |
Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations
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February 2014 |
Ab initio path integral molecular dynamics: Basic ideas
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March 1996 |
Strongly Constrained and Appropriately Normed Semilocal Density Functional
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July 2015 |
Density functional theory at finite temperatures
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May 1988 |
Quantum simulation of low-temperature metallic liquid hydrogen
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June 2013 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
Exact conditions on the temperature dependence of density functionals
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May 2016 |
AB INITIO EQUATIONS OF STATE FOR HYDROGEN (H-REOS.3) AND HELIUM (He-REOS.3) AND THEIR IMPLICATIONS FOR THE INTERIOR OF BROWN DWARFS
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January 2014 |
Shock compression data for liquids. II. Condensed hydrogen and deuterium
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November 1980 |
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
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October 2020 |
Time-resolved optical spectroscopy measurements of shocked liquid deuterium
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October 2008 |
Gradient correction to the statistical electronic free energy at nonzero temperatures: Application to equation-of-state calculations
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August 1979 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Equations of State of Elements Based on the Generalized Fermi-Thomas Theory
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May 1949 |
Importance of finite-temperature exchange correlation for warm dense matter calculations
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June 2016 |
Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs
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April 2015 |
High-mode Rayleigh-Taylor growth in NIF ignition capsules
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June 2010 |
A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals
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January 2009 |
Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
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August 2004 |
Early stage of implosion in inertial confinement fusion: Shock timing and perturbation evolution
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January 2006 |
Status of free-energy representations for the homogeneous electron gas
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May 2019 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
High-precision equation of state benchmark for cryogenic liquid deuterium at ultrahigh pressure
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April 2021 |
Temperature Measurements of Shock Compressed Liquid Deuterium up to 230 GPa
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September 2001 |
Measurement of the sound speed in dense fluid deuterium along the cryogenic liquid Hugoniot
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January 2019 |
Efficient and general algorithms for path integral Car–Parrinello molecular dynamics
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April 1996 |
Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium
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June 2015 |
Fractal decomposition of exponential operators with applications to many-body theories and Monte Carlo simulations
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June 1990 |
Strong Coupling and Degeneracy Effects in Inertial Confinement Fusion Implosions
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June 2010 |
Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
Efficient stochastic thermostatting of path integral molecular dynamics
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September 2010 |
Extended data set for the equation of state of warm dense hydrogen isotopes
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October 2012 |
How to remove the spurious resonances from ring polymer molecular dynamics
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June 2014 |
Mean-Value Point in the Brillouin Zone
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June 1973 |
A New Equation of State for Dense Hydrogen–Helium Mixtures
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February 2019 |
Nuclear quantum effects induce metallization of dense solid molecular hydrogen
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November 2017 |
Thermal Properties of the Inhomogeneous Electron Gas
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March 1965 |
First-principles equation-of-state table of deuterium for inertial confinement fusion applications
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December 2011 |
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
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October 2016 |
Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional
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February 2020 |
Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
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February 2013 |
Deorbitalization strategies for meta-generalized-gradient-approximation exchange-correlation functionals
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November 2017 |
Continuum lowering – A new perspective
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December 2014 |
Equation‐of‐state data for molecular hydrogen and deuterium at shock pressures in the range 2–76 GPa (20–760 kbar) a)
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August 1983 |
Shock compression of liquid deuterium up to
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March 2005 |
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
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February 2018 |
Nonlocal van der Waals Density Functional Made Simple
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August 2009 |
Multiphase equation of state of hydrogen from ab initio calculations in the range 0.2 to 5 g/cc up to 10 eV
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March 2011 |
Temperature measurements and dissociation of shock-compressed liquid deuterium and hydrogen
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December 1995 |