Optimal control theory in adaptive simulated annealing technique: optimisation of laser pulse for selective vibrational excitations and photo-dissociation of HBr⁺

Laser pulse design using optimal control theory-based adaptive simulated annealing technique: vibrational transitions and photo-dissociation

“…We consider the diatomic molecular ion HBr + in its ground electronic state which had been used in our previous work [34]. The potential energy curve V (x) of the system has been calibrated using Gaussian 03 package [36] with coupled cluster singles and doubles (CCSD) [37] level ab initio theory taking aug-cc-pVTZ as the basis set with a unrestricted Hartree-Fock (UHF) reference state function.…”

“…In our previous work [34], we had shown that the idea of an adaptive step length in OCT-based SA [35] technique is effective for achieving an efficient optimised pulse for selective vibrational excitation and photo-dissociation. We had optimised a pulse function which ensures that the pulse is smoothly raised at the beginning and went off to zero at the end.…”