Analysis of electronic and optical properties of copper iodide (γ-CuI) by TB – mBJ method – A promising optoelectronic material

Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 19.2K citations

Natural Sciences, Chemistry, Computational Chemistry +9

The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

Natural Sciences, Physics, Fluid Dynamics +10

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 · 8.4K citations

Natural Sciences, Materials Engineering, Materials Science +15

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran, Peter Blaha · Physical Review Letters · 2009 · 5.9K citations

Natural Sciences, Chemistry, Physics +17

WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations

Natural Sciences, Chemistry, Physics +12