Abstract: Molecules show many exotic phenomena under the influence of intense laser pulses. Under the influence of intense laser pulses, the celebrated Born-Oppenheimer approximation breaks down. Therefore, to understand the molecular dynamics under such a scenario, one has to carry out coupled electron-nuclear dynamics. Both quantum and classical dynamical methods are employed in the exact similar initial conditions with the aim of head-to-head, comparison of two methodologies. A competition between ionization and dissociation channels is explained under the framework of quantum and classical dynamics. The origin of the electron localization phenomena is elucidated by observing the molecular and electronic wave packet evolution pattern. By probing with different carrier envelope phase, CEP, values, of the ultrashort pulse, the possibility of electron localization on either of the two nuclei is investigated. The effects of initial vibrational states on final dissociation and ionization, probabilities for several CEP values are studied in detail. Finally, asymmetries in the dissociation probabilities are calculated and mutually compared for both quantum and classical dynamical methodologies, whereas Franck−Condon averaging over the initial, vibrational states is carried out in order to mimic the existing experimental conditions.

Tea: 5pm