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Classical description of ionization in collisions

We report a study on electronic distributions obtained from a CTMC treatment of the reaction, which may be used as criteria to improve the quality of pseudostates within the framework of close-coupling molecular methods. By using the concept of molecular energy of classical electrons, an analysis of the mechanism at intermediate energies confirms that at low nuclear velocities a sizeable part of the ionizing cloud could be transiently described by bound molecular wavefunctions, at small internuclear distances. However, the description of the ionization process is incomplete and worsens considerably at velocities larger than the maximum of the ionization cross section. Hence, pseudostates are indispensable for representing the evolution of the ionizing cloud, for the whole energy range. The dominant mechanisms in the classical description of ionization are illustrated at velocities close to the maximum of the cross section. The so-called saddle-point ionization mechanism is seen to correspond to the threshold behaviour of the so-called soft electrons in high-energy treatments. From a study of our data, some desirable (and unusual) general properties of the pseudostates are obtained.