The Journal of Chemical Physics · 1978 · 11 citations · 8 references
Natural SciencesChemistryPhysicsMolecular PhysicsPhysical ChemistryQuantum ChemistryAb Initio MethodsDensity Functional TheoryMolecular SymmetryBond Formation MechanismsCharge State DistributionsElectron Density Distributions
Total Compton profiles and anisotropies associated with momentum distribution along vectors parallel and perpendicular to bond axes in alkali chloride molecules are calculated and related to changes in charge distributions accompanying bond formation.
8
Ab Initio Computations in Atoms and Molecules
E. Clementi · IBM Journal of Research and Development · 1965 · 1.5K citations
Natural Sciences, Chemistry, Physics +17
K.-F. Berggren, F. Martino, P. Eisenberger et al. · Physical review. B, Solid state · 1976 · 34 citations