For optimal control of unbounded molecular dynamics, an algorithm was developed to deal with a spatially delocalized final condition of pulse design equations by combining a target operating having the form of a quasiprojector with a wave packet splitting procedure. The resultant algorithm can be combined with the efficient iteration algorithms developed for solving the homogeneous type of pulse design equations. Thus, the obtained algorithm is a powerful tool for dealing with unbounded molecular dynamics such as photodissociation and bimolecular reactions.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry