Quantum calculations of transport properties in molecular gases Original Research Article

A new program to calculate the various generalized cross sections which govern the transport and relaxation properties of binary atom-diatom (rigid rotor) gaseous mixtures is described in detail. It processes the collisionS-matrix calculated either in theexact close-coupling (CC) scheme or in the coupled-state (CS) approximation, as they are generated by themolscat code, to obtain the energy and temperature dependent cross sections needed to evaluate the transport coefficients and the relaxation times.