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Near-threshold photodetachment of heavy alkali-metal anions
11
Citations
31
References
2002
Year
Charge ExcitationsEngineeringNuclear PhysicsComputational ChemistryChemistryResonance ContributionElectronic StructureElectron PhysicElectron SpectroscopyQuantum MaterialsAsymmetry ParametersAnion SensingPhotophysical PropertyQuantum SciencePhotochemistryPhysicsAtomic PhysicsPhysical ChemistryPhotoelectric MeasurementQuantum ChemistryAb-initio MethodNatural SciencesSpectroscopyPhotodetachment Cross SectionApplied PhysicsCondensed Matter PhysicsNear-threshold Photodetachment
We calculate near-threshold photodetachment cross sections for ${\mathrm{Rb}}^{\ensuremath{-}},$ ${\mathrm{Cs}}^{\ensuremath{-}},$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ using the Pauli equation method with a model potential describing the effective electron-atom interaction. Parameters of the model potential are fitted to reproduce ab initio scattering phase shifts obtained from Dirac R-matrix calculations. Special care is taken to formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We find a ${}^{3}{P}_{1}^{o}$ resonance contribution to the photodetachment cross section of ${\mathrm{Rb}}^{\ensuremath{-}},$ ${\mathrm{Cs}}^{\ensuremath{-}},$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ ions. Our calculated total photodetachment cross sections for Cs agree with experiments after tuning the resonance position by 2.4 meV. For ${\mathrm{Rb}}^{\ensuremath{-}}$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ the resonance contribution is much smaller than for Cs. We therefore also provide angle-differential cross sections and asymmetry parameters which are much more sensitive to the resonant contribution than total cross sections.
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