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Two-Center Thomas-Fermi Model for Adiabatic Ion-Atom Collisions
52
Citations
13
References
1974
Year
Quantum ScienceElectronic PotentialEngineeringPhysicsMany-body ProblemNatural SciencesApplied PhysicsAtomic PhysicsPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryTwo-center Thomas-fermi ModelElectronic StructureIon-atom CollisionsAb-initio MethodTwo-center Model
We propose a two-center model for the description of ion-atom collisions proceeding via a quasimolecular (adiabatic) mechanism. The electronic potential of the model is given by a superposition of modified atomic Thomas-Fermi potentials, each centered about one of the colliding nuclei. Molecular correlation diagrams calculated for the NeNe system show good agreement with results from molecular-orbital Hartree-Fock calculations.
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