Physical Review A · 2000 · 45 citations · 22 references
Natural SciencesChemistryPhysicsMolecular PhysicsPhysical ChemistryQuantum ChemistryAb Initio MethodsCross Section DataElectron CorrelationMolecular ScatteringScattering AnalysisAdditivity CriteriaAdditivity ModelingElectron Cross SectionsElectron ScatteringMolecular Cross SectionScattering Cross SectionsTotal Cross Sections
Total cross sections (TCSs) for electron scattering by polyatomic molecules ${\mathrm{C}}_{2}{\mathrm{F}}_{4},$ ${\mathrm{C}}_{2}{\mathrm{F}}_{6},$ ${\mathrm{C}}_{3}{\mathrm{F}}_{6},$ ${\mathrm{C}}_{3}{\mathrm{F}}_{8},$ ${\mathrm{C}}_{6}{\mathrm{F}}_{6},$ and ${\mathrm{C}}_{6}{\mathrm{H}}_{6}$ are calculated in the incident electron energy range 30--3000 eV employing the 100% additivity rule and energy-dependent geometric additivity rule (EGAR) approaches. The EGAR, proposed by Jiang et al. [J. Phys. B 30, 5025 (1997); Phys. Lett. A 237, 53 (1997)], relates to molecular properties and the energy of incident electrons. Two approaches for the TCS of ${\mathrm{C}}_{2}{\mathrm{F}}_{6},$ ${\mathrm{C}}_{3}{\mathrm{F}}_{8},$ ${\mathrm{C}}_{6}{\mathrm{F}}_{6},$ and ${\mathrm{C}}_{6}{\mathrm{H}}_{6}$ molecules are compared and the EGAR yields better accord with available experimental measurements in the whole energy region. The new results for ${\mathrm{C}}_{2}{\mathrm{F}}_{4}$ and ${\mathrm{C}}_{3}{\mathrm{F}}_{6}$ are also presented although no experimental data are available for comparison. The atoms are presented by spherical complex optical potential, which is composed of static, exchange, polarization, and absorption terms.
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Roothaan-Hartree-Fock atomic wavefunctions
E. Clementi, C. Roetti · Atomic Data and Nuclear Data Tables · 1974 · 5.5K citations