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Chemical Physics Impact · 2024 · 18 citations · 40 references
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40
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.3K citations · Full text
Engineering, Material Simulation, Computational Chemistry +20
Optical Properties and Electronic Structure of Amorphous Germanium
J. Tauc, R. Grigorovici, A. Vancu · physica status solidi (b) · 1966 · 10.4K citations
Materials Science, Optical Materials, Engineering +15
Finite Elastic Strain of Cubic Crystals
Francis Birch · Physical Review · 1947 · 6.2K citations
Engineering, Mechanical Engineering, Finite Elastic Strain +16
BoltzTraP. A code for calculating band-structure dependent quantities
Georg K. H. Madsen, David J. Singh · Computer Physics Communications · 2006 · 5.8K citations · Full text
Numerical Analysis, Band-structure Dependent Quantities, Engineering +8
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
Fabien Tran, Peter Blaha · Physical Review Letters · 2009 · 5.7K citations
Sp Semiconductors, Engineering, Computational Chemistry +23