APPLICATION OF COMPLEX L(2) FUNCTIONS TO THE CALCULATION OF PHOTODISSOCIATION PROCESSES

A general method is presented which uses complex L(2) functions to cal culate photodissociation cross sections for interactions that exhibit both resonance and direct scattering behavior. The complex L(2) functi ons are eigenfunctions of a complex Hamiltonian containing an imaginar y potential in the asymptotic region of the interaction potential. Thi s calculation is related to the time-dependent wave packet propagation method, with an imaginary potential located in the exit channel of th e reaction. Three systems are considered to test this complex L(2) app roach. Two are one-dimensional (nonreactive) examples of diatomic phot odissociation which exhibit direct, and resonant and direct scattering dynamics. The third example is the photodetachment spectra of a three -dimensional system FH2-, which has recently been simulated exactly fo r zero total angular momentum by Manolopoulos [S. E. Bradforth et al., J. Chem. Phys. 99, 6345 (1993)].