Journal of Alloys and Compounds · 2021 · 52 citations · 58 references
Natural SciencesMaterials EngineeringMaterials ScienceInterface ScienceSurface EngineeringSurface ScienceChemical BondingInterface EngineeringInterfacial PhenomenaMetalsSurface PhysicsSurface ThermodynamicsAdhesion MechanismsAdhesion StrengthBond StrengthBondingBonding MechanismsInterface BondingInterfacial Adhesion
58
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Relaxation of Crystals with the Quasi-Newton Method
Bernd Pfrommer, Michel Côté, Steven G. Louie et al. · Journal of Computational Physics · 1997 · 3K citations