2015, Brambila, Danilo S., Harvey, Alex G., Mašín, Zdeněk, Smirnova, Olga

We present R-matrix calculations of photoionization from NO2, resolved in energy, angle, and both neutral and ionic state, for a range of molecular geometries, including in the vicinity of the 2A1/2B2 conical intersection.

2015, Mašín, Zdeněk, Harvey, Alex, Houfek, Karel, Brambila, Danilo S., Morales, Felipe, Gorfinkiel, Jimena D., Tennyson, Jonathan, Smirnova, Olga

We report on recent developments of the UKRmol suite, an implementation of the molecular R- matrix method and present examples of the calculations (e.g. electron scattering, photoionization, high harmonic generation, etc.) it has enabled.