Concepedia
Physica E Low-dimensional Systems and Nanostructures · 2007 · 160 citations · 5 references
SemiconductorsSemiconductor TechnologyEngineeringPhysicsSemiconductor Energy GapsNatural SciencesApplied PhysicsCondensed Matter PhysicsQuantum MaterialsB3lyp Hybrid FunctionalSemiconductor MaterialQuantum ChemistryCategoryiii-v SemiconductorCompound SemiconductorGroup Iii–v
5
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors
James R. Chelikowsky, Marvin L. Cohen · Physical review. B, Solid state · 1976 · 2K citations
Engineering, Electronic Structure, Semiconductor Nanostructures +21
On the prediction of band gaps from hybrid functional theory
J. Muscat, A. Wander, N. M. Harrison · Chemical Physics Letters · 2001 · 918 citations
Spectral Theory, Engineering, Generalized Function +6
Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids
Luboš Mitáš, Richard M. Martin · Physical Review Letters · 1994 · 137 citations
Engineering, Material Simulation, Computational Chemistry +19
Diffusion quantum Monte Carlo calculations of the excited states of silicon
Andrew Williamson, Randolph Q. Hood, R. J. Needs et al. · Physical review. B, Condensed matter · 1998 · 86 citations · Full text