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

Published: 01-12-2008| Version 1 | DOI: 10.17632/cxg62pgr2y.1
D. López-Durán,
E. Bodo,
F.A. Gianturco


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 ... Title of program: ASPIN Catalogue Id: AEBO_v1_0 Nature of problem Scattering of a diatomic molecule in its 1 Σ, 2 Σ, or 3 Σ spin states with an atom in its 1 S state. Partial and integral cross sections. Versions of this program held in the CPC repository in Mendeley Data AEBO_v1_0; ASPIN; 10.1016/j.cpc.2008.07.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)