Photoelectron angular distributions from aligned molecules using the R-matrix method

摘要: We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on molecular alignment (orientation) emission angle energy photoelectron. illustrate our approach using CO2 as an example, analyze importance multi-channel effects by performing calculations at different, increasing levels complexity. benchmark method comparing results with experimental data theoretical available in literature.