ASPIN: An all spin scattering code for atom–molecule rovibrationally inelastic cross sections

Abstract

We present in this work a new computational code for the quantum calculation of integral cross sections for atom–molecule (linear) scattering processes. The atom is taken to be structureless while the molecule can be in its singlet, doublet, or triplet spin states and can be treated as either a rigid rotor or a rovibrational target. All the relevant state-to-state integral cross sections, and their sums over final states, can be calculated with the present code, for which we also describe in detail the various component routines.