First-principles study of Ni-Al intermetallic compounds under various temperature and pressure

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.6K citations

Correlation Energy, Engineering, Randomphase Approximation +18

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Engineering, Material Simulation, Simulation +22

XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

S.F. Pugh · The London Edinburgh and Dublin Philosophical Magazine and Journal of Science · 1954 · 8.1K citations

Materials Science, Engineering, Plastic Shear Strength +15

General methods for geometry and wave function optimization

Thomas Fischer, Jan Almløf · The Journal of Physical Chemistry · 1992 · 2.5K citations

Numerical Analysis, Engineering, Altmetric Attention Score +21