Journal of Physics F Metal Physics · 1977 · 146 citations · 9 references
Fixed ProtonEngineeringProton-coupled Electron TransferMolecular BiologyComputational ChemistryChemistryElectronic StructureSelf-consistent ScreeningLepton-nucleon ScatteringMetallic Density RangeBiophysicsPhysicsPhysical ChemistryHydrogenQuantum ChemistryNatural SciencesParticle PhysicsProton TransferNonlinear ScreeningIon Structure
The nonlinear screening of a fixed proton in jellium for the metallic density range covering rs=1 to rs=6 has been calculated self-consistently using the density-functional formalism. A new method is introduced for achieving self-consistency in a straightforward manner. For rs>4, the screening charge near the proton is essentially hydrogenic; the interaction energy in this range of rs is nearly the same as that found for the hydrogen atom using the same formalism and differs by about 10% from the exact binding energy of the atom.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text