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Calculations of near-threshold cross sections for photodissociation of CH+ using the Lanczos algorithm
F Bouakline1, T P Grozdanov, L Andric
1Laboratoire de Chimie Physique-Matière et Rayonnement (UMR 7614 du CNRS), Université Pierre et Marie Curie, 75231-Paris Cedex 05, France.
The Journal of Chemical Physics
|March 3, 2005
Abstract:
We combine the Lanczos algorithm with the absorbing-potential method, implemented in a discrete variable representation to calculate the near-threshold photodissociation cross sections of CH+. The method is iterative, based on a continued fraction representation of the Green function and avoids any explicit matrix diagonalization. A very good agreement is found with experiment and close-coupling calculations.

