Charge transfer processes from low to intermediate energies

摘要

The theoretical treatment of charge transfer processes is developed using ab-initio molecular calculations. Semi-classical and quantal dynamical approaches are presented for the determination of cross sections and rate constants which are important data for space chemistry models. Accurate cross section values may be determined, taking account of rotational couplings with regard to the collision energy. Such theoretical approaches provide besides an insight into the mechanism of these processes with consideration of anisotropic and vibrational effects for collisions with diatomic molecular targets (? 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)