Low-energy electron scattering by pyrazine

Low-energy electron scattering by pyrazine

We report cross sections for low-energy elastic electron collisions with the diazabenzene molecule pyrazine, obtained from first-principles calculations. The integral elastic cross section exhibits three sharp peaks that are nominally shape resonances associated with trapping in the vacant * molecular orbitals. Although the two lowest-energy resonances do in fact prove to be nearly pure single-...

Low-energy electron scattering by N2O

We present elastic integral, differential, and momentum-transfer cross sections for electron collisions with N2O. We show that, with a slight modification of a method of incorporating polarization effects proposed recently by us Winstead, McKoy, and Bettega, Phys. Rev. A 72, 042721 2005 along with a flexible one-particle basis set, we can reproduce features in the experimental data that were no...

Low - energy elastic electron scattering by acetylene

Acetylene, C2H2, is a prototypical molecule in several respects. As a readily available gas and one of the smallest and most symmetric polyatomic molecules, it is amenable to both experimental and computational study. It is the smallest member of the important family of unsaturated hydrocarbons and is isoelectronic with N2, having in common with those molecules both a bonding πu orbital and an ...

Low‐energy electron scattering by C3H6 isomers

Low-energy electron scattering by C2HF5

We report elastic and electronically inelastic cross sections for low-energy electron scattering by pentafluoroethane, C2HF5 . Our calculations were performed using the Schwinger multichannel method. For elastic scattering, we calculated integral, differential, and momentum transfer cross sections for energies from 5 to 50 eV. In the inelastic case, we obtained integral and differential cross s...