Low-energy electron scattering by cubane: resonant states and Ramsauer-Townsend features from quantum calculations in the gas phase.
Calculations are carried out, using a nonempirical modeling of the interaction potential and solving the quantum scattering coupled channel equations, for low energy electron scattering from cubane (C8H8) molecules in the gas phase. Total integral cross sections are obtained and partial contributions are analyzed for the most important irreducible representations that describe the continuum electron in the Oh molecular symmetry. Several trapping resonances are found and analyzed in terms of the molecular-type features of the resonant electron states associated with them. A Ramsauer-Townsend minimum is also found and its possible behavior related to features of the scattering length as k --> 0.
Gianturco
F A
FA
Department of Chemistry and INFM, The University of Rome, La Sapienza, Piazzale A. Moro 5, 00185 Rome, Italy. fa.gianturco@caspur.it
Lucchese
R R
RR
Grandi
A
A
Sanna
N
N