Journal of Chemical Physics, Vol.104, No.21, 8433-8441, 1996
Calculation of Dissociative Attachment of Electrons to Diatomic-Molecules by the Schwinger-Lanczos Approach
Numerical studies of resonant scattering of electrons by diatomic molecules with full account of the nonlocal level shift and resonance width operators are carried out with emphasis on the various approximations of the nonlocal potentials. The Schwinger-Lanczos approach proposed recently by Meyer, Horacek and Cederbaum [Phys. Rev, A 43, 3587 (1991)] is applied and its performance is investigated. The efficiency of the method is further improved by introducing a new local complex potential. Very accurate values of the dissociative attachment cross sections for a d-wave resonance model are reported.
Keywords:DISCRETE VARIABLE REPRESENTATION;VIBRATIONAL-EXCITATION;LOCAL APPROXIMATION;NUCLEAR-DYNAMICS;SCATTERING