Shape and core-excited resonances in electron scattering from alanine.

We present detailed ab initio scattering calculations using the R-matrix method for electron collisions with the most stable conformer of α-alanine. The shape resonances that we identify are in good agreement with earlier calculations and experiments. Core-excited and mixed-character resonances are identified and characterized computationally for the first time. Dissociative electron attachment results are discussed in relation to the resonances identified.

Cross sections for electron scattering from thiophene for a broad energy range.

We present cross sections for elastic and inelastic electron scattering from thiophene calculated in the energy range 0.1-1000 eV. The R-matrix and independent atom representation-screening-corrected additivity rule (IAM-SCAR) methods were used for low-energy and intermediate and high scattering energies, respectively. The results provide a consistent picture of the scattering process in the whole energy range. The effect of including an interference term in the IAM-SCAR approach is considered. Agreement with prior theoretical results is also discussed.

Shape and Core-Excited Resonances in Thiophene.

We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is very good. Three shape resonances previously described, two of π* character and one σ*, as well as a number of resonances of core-excited or mixed character are identified and characterized in the calculations. The measured cross sections provide experimental confirmation for a number of the core-excited resonances. The link between these resonances and prior DEA experiments is discussed.

Resonances in low-energy electron scattering from para-benzoquinone.

We present detailed ab initio scattering calculations for electron collisions with para-benzoquinone. The R-matrix method has been used to study elastic and electronically inelastic scattering. We have identified 25 resonances of shape, Feshbach, core-excited shape and mixed character between 0 and 8 eV. Agreement of our resonance spectrum with existing literature is discussed, in particular that of the low-lying resonances that participate in the photodetachment process. Integral elastic and total inelastic cross sections are also presented.