We report elastic, electronically inelastic, total ionization and total cross sections for the scattering of electrons by trans-formic acid. The calculations of the elastic and electronically inelastic cross sections were performed with the Schwinger multichannel method implemented with norm-conserving pseudopotentials. The electronically inelastic calculations were done within the minimal orbital basis for single configuration interaction approach with different multichannel coupling schemes considering from 1 up to 51 open channels, which enable us to study the influence of the multichannel coupling effects on the calculated cross sections. Polarization effects in the elastic channel were taken into account considering only the excitations related to the pairs used in the minimal orbital basis for single configuration interaction approach. We found that the magnitude of the elastic and inelastic cross sections decreases as more channels are treated as open in the scattering calculations. The calculated elastic differential cross sections present an overall good agreement with previous studies found in the literature. The elastic integral cross section presents a well-known π * shape resonance centered at 1.96 eV. The total ionization cross section was calculated with the binary-encounter-Bethe model and presents a good agreement with previous results from the literature. The total cross section was estimated using the calculated elastic, inelastic and ionization cross sections.
Absolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The low-energy elastic integral, differential, and momentum transfer cross sections were calculated with the Schwinger multichannel method implemented with pseudopotentials, in the static-exchange and static-exchange plus polarization levels of approximation, for energies up to 30 eV. The integral cross section calculated for low-energy electron scattering with the R-matrix method within the static-exchange and static-exchange plus polarization approximations for energies up to 15 eV are also reported. By the inspection of the cross sections, the presence of resonances is discussed. In particular, the calculated integral cross sections and the measured total cross section display a minimum at around 1 eV, which is consistent with the presence of a Ramsauer–Townsend minimum and a sharp increase at low energies, which is consistent with the presence of a virtual state. Additionally, interactions in elastic and ionization channels for intermediate collision energies were investigated with the additivity rule and the binary-encounter-Bethe methods.
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