Quasiclassical R-matrix theory of inelastic processes in collisions of electrons with HCl molecules.

Abstract

The {ital R}-matrix theory for the vibrational excitation and dissociative attachment in {ital e}-HCl collisions is developed. Only one pole in the {ital R}-matrix expansion is included. This allows for making a connection between the {ital R}-matrix and the nonlocal-complex-potential theories, and for obtaining the expression for the dissociative-attachment cross section without using the {ital R}-matrix radius in the internuclear coordinate. All matrix elements in the equation for the vibrational-excitation and dissociative-attachment amplitudes are calculated using the quasiclassical approach. We study how the results depend on the number of vibrational levels of the neutral molecule included in the theory and show how to exclude the vibrational continuum by a modification of the nonlocal-complex potential. The results for the vibrational-excitation cross sections are extremely sensitive to the behavior of the {ital R}-matrix potential curve near the point of crossing this curve with the potential curve of the neutral molecule. Particularly in some cases the cross section at the threshold peak exhibits the boomerang oscillations earlier found for HCl by Domcke (in {ital Aspects} {ital of} {ital Electron}{minus}{ital Molecule} {ital Scattering} {ital and} {ital Photoionization}, edited by A. Herzenberg (AIP, New Haven, 1989), p. 169). The dissociative-attachment cross sections are in reasonablemore » agreement with experiment and with other theories.« less