about
From ultrasoft pseudopotentials to the projector augmented-wave methodEfficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setEfficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setProton Ordering of Cubic Ice Ic: Spectroscopy and Computer SimulationsHybrid functionals including random phase approximation correlation and second-order screened exchange.Towards an exact description of electronic wavefunctions in real solids.Screened hybrid density functionals applied to solids.Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.The random phase approximation applied to ice.Charge trapping at the step edges of TiO(2) anatase (101).Prediction of new thermodynamically stable aluminum oxidesLow Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations.Reproducibility in density functional theory calculations of solids.Role of Polar Phonons in the Photo Excited State of Metal Halide PerovskitesBehavior of Methylammonium Dipoles in MAPbX3 (X = Br and I)Accurate surface and adsorption energies from many-body perturbation theory.Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites.Finite-field implementation of NMR chemical shieldings for molecules: direct and converse gauge-including projector-augmented-wave methods.Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces.Anionic chemistry of noble gases: formation of Mg-NG (NG = Xe, Kr, Ar) compounds under pressure.Ab initio density-functional study of the bridging addition of acrylonitrile on the Si(100) surface.Accurate band gaps and dielectric properties from one-electron theories (abstract only).Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.Macroscopic dielectric function within time-dependent density functional theory-Real time evolution versus the Casida approach.GW Vertex Corrected Calculations for Molecular Systems.Embedding for bulk systems using localized atomic orbitals.NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations.Planar vanadium oxide clusters: two-dimensional evaporation and diffusion on Rh(111).The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory.Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling.Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites.Singles correlation energy contributions in solids.Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation.Ionization potentials of solids: the importance of vertex corrections.Analytic Interatomic Forces in the Random Phase Approximation.Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys.Phonon softening in metallic nanotubes by a Peierls-like mechanism.The viscosity of liquid iron at the physical conditions of the Earth's coreDonor defects and small polarons on the TiO2(110) surface
P50
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P50
description
Austrian Physicist
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fisico austriaco
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fisikari austriarra
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físic austríac
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físico austríaco
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físico austríaco
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físico austríaco
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físicu austriacu
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natuurkundige uit Oostenrijk
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physicien autrichien
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name
Georg Kresse
@ast
Georg Kresse
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Georg Kresse
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Georg Kresse
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Georg Kresse
@es
Georg Kresse
@fr
Georg Kresse
@ga
Georg Kresse
@nl
Georg Kresse
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Georg Kresse
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type
label
Georg Kresse
@ast
Georg Kresse
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Georg Kresse
@de
Georg Kresse
@en
Georg Kresse
@es
Georg Kresse
@fr
Georg Kresse
@ga
Georg Kresse
@nl
Georg Kresse
@sl
Georg Kresse
@sq
prefLabel
Georg Kresse
@ast
Georg Kresse
@ca
Georg Kresse
@de
Georg Kresse
@en
Georg Kresse
@es
Georg Kresse
@fr
Georg Kresse
@ga
Georg Kresse
@nl
Georg Kresse
@sl
Georg Kresse
@sq
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1967-07-21T00:00:00Z