Concepedia
Surface Science · 2002 · 106 citations · 42 references
Materials ScienceSurface CharacterizationEngineeringSurface ChemistrySurface AnalysisSurface ScienceRutile Tio2ChemistryHydrogen
42
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
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations
Quantum Liquid, Liquid Metals, Engineering +15
Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.6K citations
Correlation Energy, Engineering, Many-body Quantum Physic +19
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations
Engineering, First-principles Pseudopotentials, Functional Analysis +19
<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22K citations
Engineering, Computational Chemistry, Chemistry +17