Publication | Closed Access
Calculation of low-energy elastic cross sections for electron-CF4 scattering
216
Citations
19
References
1994
Year
EngineeringElectron DiffractionComputational ChemistryMolecular DynamicsSpectra-structure CorrelationVibronic InteractionModel PolarizationNumerical SimulationComputational ElectromagneticsElectron-cf4 ScatteringPhysicsAtomic PhysicsPhysical ChemistryMolecular MechanicQuantum ChemistryAb-initio MethodEv Energy RegionGas PhaseNatural SciencesApplied PhysicsWave Scattering
A new computational approach has been used to evaluate the rotationally summed, vibronically elastic integral cross sections from the scattering of slow electrons (energy ranging from 1.0 eV up to 40.0 eV) by tetrafluoromethane molecules in the gas phase. The various symmetry components have been analyzed using the exact static exchange approximation and also by including a nonempirical, model polarization potential employed before by our group. A comparison with earlier calculations and with existing experiments allows us to assign the symmetries of the shape resonances in the 5–30 eV energy region which are seen by experiments and are also shown by the present calculations.
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