Chemical Physics Letters · 1998 · 36 citations · 18 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructurePhysical ChemistryAb Initio MethodsAtomic PackingCluster ChemistryCoordination NumberCrystallographyMolecular SymmetryAtomic CoordinationMolecular ClustersStructural Characterization Of ClustersTransition Metal ClustersVacancy Clusters
18
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Ab initio molecular orbital theory
Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations
Pseudopotentials that work: From H to Pu
Giovanni B. Bachelet, D. R. Hamann, M. Schlüter · Physical review. B, Condensed matter · 1982 · 3.4K citations
Natural Sciences, Chemistry, Physics +17