Restoring the density-gradient expansion for exchange in solids and surfaces.
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Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic-Inorganic Halide PerovskitesDomain topology and domain switching kinetics in a hybrid improper ferroelectric.Large elasto-optic effect and reversible electrochromism in multiferroic BiFeO3.Structural and valence changes of europium hydride induced by application of high-pressure H₂Strain-Induced Gap Modification in Black PhosphorusTunable electrical conductivity in metal-organic framework thin-film devicesAtomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloyCan Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells?Thermodynamic Origin of Photoinstability in the CH3NH3Pb(I1-xBrx)3 Hybrid Halide Perovskite AlloyStructural, Electronic, and Optical Properties of BiOX1-xYx (X, Y = F, Cl, Br, and I) Solid Solutions from DFT CalculationsOne-dimensional Magnus-type platinum double saltsChemically Accurate Simulation of a Polyatomic Molecule-Metal Surface ReactionLattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport.First principles search for n-type oxide, nitride, and sulfide thermoelectrics.Electromagnon dispersion probed by inelastic X-ray scattering in LiCrO2.GaN Haeckelite Single-Layered Nanostructures: Monolayer and Nanotubes.Rational design of inorganic dielectric materials with expected permittivity.Theoretical predictions for hot-carrier generation from surface plasmon decay.Electronic structure modulation of metal-organic frameworks for hybrid devices.Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi.Electronic chemical potentials of porous metal-organic frameworks.Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction.Data set for diffusion coefficients of alloying elements in dilute Mg alloys from first-principlesUnveiling the electrochemical mechanisms of Li2Fe(SO4)2 polymorphs by neutron diffraction and density functional theory calculations.Learning from data to design functional materials without inversion symmetry.Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories.Elucidation of crystal and electronic structures within highly strained BiFeO3 by transmission electron microscopy and first-principles simulationGeneralized gradient approximation model exchange holes for range-separated hybridsSwitchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskitesThe Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys.Role of acentric displacements on the crystal structure and second-harmonic generating properties of RbPbCO3F and CsPbCO3F.Chemical and Lattice Stability of the Tin Sulfides.Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2.Iron porphyrins with different imidazole ligands. A theoretical comparative study.An improved and broadly accurate local approximation to the exchange-correlation density functional: the MN12-L functional for electronic structure calculations in chemistry and physics.Diamond: electronic ground state of carbon at temperatures approaching 0 K.Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections.Covalent dependence of octahedral rotations in orthorhombic perovskite oxides.Thermal expansion anomaly regulated by entropy.Ionic transport in hybrid lead iodide perovskite solar cells
P2860
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P2860
Restoring the density-gradient expansion for exchange in solids and surfaces.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Restoring the density-gradient expansion for exchange in solids and surfaces.
@en
Restoring the density-gradient expansion for exchange in solids and surfaces.
@nl
type
label
Restoring the density-gradient expansion for exchange in solids and surfaces.
@en
Restoring the density-gradient expansion for exchange in solids and surfaces.
@nl
prefLabel
Restoring the density-gradient expansion for exchange in solids and surfaces.
@en
Restoring the density-gradient expansion for exchange in solids and surfaces.
@nl
P2093
P1476
Restoring the density-gradient expansion for exchange in solids and surfaces.
@en
P2093
Adrienn Ruzsinszky
Gustavo E Scuseria
John P Perdew
Kieron Burke
Oleg A Vydrov
Xiaolan Zhou
P304
P356
10.1103/PHYSREVLETT.100.136406
P407
P577
2008-04-04T00:00:00Z