Rc. Mayrhofer et Jm. Bowman, APPLICATION OF COMPLEX L(2) FUNCTIONS TO THE CALCULATION OF PHOTODISSOCIATION PROCESSES, The Journal of chemical physics, 100(10), 1994, pp. 7229-7238
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)].