Cross sections and asymmetry parameters for photoionization from ground and triplet excited states of nitromethane

2009 IOP Publishing Ltd. Total cross sections and asymmetry parameters for single-photon ionization from the highest-occupied molecular orbitals of the X1 , 1 3 and 2 states of CH3NO2 are computed within the single-channel, frozen-core Hartree-Fock approximation. Results are presented for photon energies between 0.5 and 20 eV and are compared to previous theoretical and experimental results wherever possible. One-electron resonant processes in the ionization channels are studied through the use of a local model potential. Computed molecular frame and recoil frame photoelectron angular distributions are also reported.

Cross sections and asymmetry parameters for photoionization from ground and triplet excited states of nitromethane Conference Paper