A theoretical study of the dissociative recombination of SH with electrons through the Π states of SH.

A quantitative theoretical study of the dissociative recombination of SH with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves.