Calculations of photodissociation cross sections by the smooth exterior complex scaling method

Abstract

We show that total photodissociation cross sections can be calculated directly by the smooth exterior complex scaling method. First, an application to a model problem, characterized by the resonance-dominated cross section is considered, in which the detailed comparisons with approaches employing the standard complex scaling and the complex absorbing potentials are made. Second, the photodissociation cross sections for transitions from the ground vibrational state of the X 2 Π electronic state of HCl + to the continua of the (2) 2 Π and (3) 2 Π states are calculated, by using a discrete set of realistic molecular data.