Nonadiabatic radiative lifetimes and fluorescence spectra of NO2

摘要: We have computed the radiative lifetimes and fluorescence spectra of B2 nonadiabatic states NO2 up to 18 735 cm−1, employing ab initio MRD-CI potentials refined with respect experimental lines 10 000 cm−1. The effects conical intersection X2A′/A2A′ between first two adiabatic surfaces on been investigated by comparing those vibrational excited electronic species. By this way we confirmed that anomalous long observed for are caused couplings, suggesting furthermore some weak absorbing contrary lowered intersection. compared our published measurements, showing able well reproduce explain general trends results agree ones within a factor or three. These differences are...