Generalized Gradient Approximation Made Simple
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October 1996 |
Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries
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September 2017 |
Measurement of Electron-Ion Relaxation in Warm Dense Copper
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January 2016 |
Understanding XANES spectra of two-temperature warm dense copper using ab initio simulations
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March 2020 |
Picosecond Short-Range Disordering in Isochorically Heated Aluminum at Solid Density
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January 2010 |
The applications of X-ray absorption spectroscopy in the study of nanocrystalline materials and electrochemical systems
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September 2008 |
Application of complex energy integration to selfconsistent electronic structure calculations
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November 1982 |
Dynamic screening effects in x-ray absorption spectra
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March 2003 |
Multiple-scattering formalism for correlated systems: A KKR-DMFT approach
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July 2005 |
Femtosecond x-ray absorption spectroscopy of spin and orbital angular momentum in photoexcited Ni films during ultrafast demagnetization
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March 2010 |
Recent XAS studies into Homogeneous metal catalyst in fine chemical and pharmaceutical syntheses
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June 2015 |
Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium
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February 2008 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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September 2009 |
Real-space Green’s functions for warm dense matter
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August 2021 |
Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications
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August 2011 |
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
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September 1998 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Verification of the FEFF simulations to K-edge XANES spectra of the third row elements
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February 2009 |
Electronic Structure of Warm Dense Copper Studied by Ultrafast X-Ray Absorption Spectroscopy
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April 2011 |
X-ray absorption Debye-Waller factors from ab initio molecular dynamics
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January 2012 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Fermi-Dirac distribution in ab initio Green’s-function calculations
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October 1995 |
X-ray absorption near edge spectroscopy study of warm dense MgO
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November 2019 |
X-Ray Absorption Spectra of Water from First Principles Calculations
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May 2006 |
Exchange-correlation contributions to thermodynamic properties of the homogeneous electron gas from a cumulant Green's function approach
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November 2019 |
Particle-hole cumulant approach for inelastic losses in x-ray spectra
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July 2016 |
Parameter-free calculations of X-ray spectra with FEFF9
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January 2010 |
Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies
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October 2015 |
Finite Temperature Green’s Function Approach for Excited State and Thermodynamic Properties of Cool to Warm Dense Matter
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October 2017 |
A local exchange-correlation potential for the spin polarized case. i
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July 1972 |
Probing warm dense matter using femtosecond X-ray absorption spectroscopy with a laser-produced betatron source
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August 2018 |
Electron-ion thermal equilibration dynamics in femtosecond heated warm dense copper
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February 2018 |
Scattering-matrix formulation of curved-wave multiple-scattering theory: Application to x-ray-absorption fine structure
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April 1990 |
Theoretical approaches to x-ray absorption fine structure
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July 2000 |
Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations
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February 2014 |
Q uantum ESPRESSO toward the exascale
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April 2020 |
Advanced capabilities for materials modelling with Quantum ESPRESSO
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October 2017 |
Multiple scattering theory for dense plasmas
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October 2020 |
Electronic structure of metallic ferromagnets above the Curie temperature
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June 1985 |
Coulomb-hole and screened exchange in the electron self-energy at finite temperature
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September 2018 |
FinalState Rule vs the BetheSalpeter Equation for DeepCore Xray Absorption Spectra
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January 2005 |
Interacting Electrons: Theory and Computational Approaches
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June 2016 |