Calculations of partial cross sections for photofragmentation processes using complex absorbing potentials

We investigate the use of complex absorbing potentials for the calculation of partial cross sections in multichannel photofragmentation processes. An exactly solvable, coupled-two-channel problem involving square-well potentials is used to compare the performance of various types of absorbing potent...

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Bibliographic Details
Published in:The Journal of chemical physics 2006-03, Vol.124 (9), p.094303-094303-8
Main Authors: Grozdanov, T. P., Andric, L., McCarroll, R.
Format: Article
Language:English
Subjects:
ATOMIC AND MOLECULAR PHYSICS
COMPARATIVE EVALUATIONS
CROSS SECTIONS
DISSOCIATION
EXACT SOLUTIONS
PHOTOLYSIS
PHOTON-MOLECULE COLLISIONS
POLYNOMIALS
REACTION KINETICS
SQUARE-WELL POTENTIAL
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Summary:We investigate the use of complex absorbing potentials for the calculation of partial cross sections in multichannel photofragmentation processes. An exactly solvable, coupled-two-channel problem involving square-well potentials is used to compare the performance of various types of absorbing potentials. Special emphasis is given to the near-threshold regions and the conditions under which the numerical results are able to reproduce the Wigner threshold laws. It was found that singular, transmission-free absorbing potentials perform better than those of power or polynomial form.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2174014