Ab initio calculation of the two lowest excited states of H2S relevant for the photodissociation in the first continuum

We present extensive MRD CI ab initio calculations for the first two excited states of ¹A″ symmetry (¹B₁ and ¹A₂ in the C_2v point group). Full three-dimensional potential energy surfaces are constructed by varying both H---S-bond lengths as well as the HSH bending angle. The lower adiabatic potential is dissociative whereas the upper one is binding. These surfaces, together with the transition dipole moments with the ground electronic state, form the basis for future investigations of the photodissociation of hydrogen sulfide.