Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions is discussed. Trajectory surface hopping (TSH) calculations are used for the purpose. The efficiency of army ant algorithm, which is a form of rare event sampling, is controlled by an input parameter. Atom-diatom scattering calculations on a model system, to demonstrate the efficiency of the army ants algorithm are also performed.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry