Concepedia
Surface Science Reports · 1992 · 168 citations · 119 references
EngineeringSurface AnalysisSurface ScienceNumerical SimulationApplied PhysicsSimulationDefect FormationDefect ToleranceComputer Simulation
119
Unified Approach for Molecular Dynamics and Density-Functional Theory
Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.6K citations · Full text
Molecular Solid, Crystalline Silicon, Engineering +15
Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
Arthur J. H. Wachters · The Journal of Chemical Physics · 1970 · 3.4K citations
Gaussian Basis, Quantum Science, Energy Values +15
Theory of the Dielectric Constants of Alkali Halide Crystals
B. G. Dick, A. W. Overhauser · Physical Review · 1958 · 2.4K citations
Crystal Structure, Engineering, Electronic Structure +19
The stability of ionic crystal surfaces
P. Tasker · Journal of Physics C Solid State Physics · 1979 · 1.8K citations
Materials Science, Ionic Crystal Surfaces, Type 1 +13
Conduction in polar crystals. I. Electrolytic conduction in solid salts
N. F. Mott, M. J. Littleton · Transactions of the Faraday Society · 1938 · 1.5K citations
Electrolytes, Engineering, M. J. Littleton +16