Multi-reference calculations of the photodissociation of HSCH3 molecule

This paper performs multi-reference second-order perturbation theory calculations on the ground state and a number of low-lying excited states of HSCHphotodissociation, potential-energy curve, HSCHphotodissociation, potential-energy curve, HSCHphotodissociation, potential-energy curve, HSCH$_{3}$ moleculeProject supported by the National Natural Science Foundation of China (Grant Nos 10604022 and 60278009).8250E, 8250FThis paper performs multi-reference second-order perturbation theory calculations on the ground state and a number of low-lying excited states of HSCHphotodissociation, potential-energy curve, HSCHphotodissociation, potential-energy curve, HSCH$_{3}$ moleculeProject supported by the National Natural Science Foundation of China (Grant Nos 10604022 and 60278009).8250E, 8250FThis paper performs multi-reference second-order perturbation theory calculations on the ground state and a number of low-lying excited states of HSCH$_{3}$ molecule, and calculates the vertical excitation energies and low-energy potential-energy curves, based on which the photodissociation channels of HSCH$_{3}$ at 193,222,248\,nm are clarified.