High Precision Ab-initio Calculation andCoupled Photodissociation Dynamics of OH

The hydroxyl radical (OH) is a key reactive species in Earth's atmosphere and the interstellar medium. This study employs high-precision multi-reference configuration interaction calculations to calculate the potential energy curves and transition dipole moments for 16 doublet electronic states of OH, significantly improving upon earlier work in both accuracy and scope of excited states. A focus is placed on the diabatic coupled photodissociation of the ²Π states. This work provides high-precision data critical for understanding atmospheric chemistry and interstellar reaction processes.