Molecular dissociation and ionization are the most fundamental processes to understand the electronic and nuclear dynamics in their natural time scale. Shining ultrashort highly intense laser pulses can trigger these processes in the molecules. Because of the high intensity of the laser pulse, the strong coupling between nuclear and electronic motion arises; thereby, the Born-Oppenheimer approximation is no longer valid. The complete quantum treatment of multi-electron coupled dynamics is computationally prohibitive and only be achieved for one electron molecule. We present a quasi-classical treatment of such coupled dynamics of H2 molecule to simulate dissociation and ionization simultaneously with attosecond temporal resolution. We have studied the sequential double ionization of H2 molecule exposed to 750 nm, 4.5 fs elliptically polarized laser pulse. Through theoretical exploitation of molecular attoclock technique, the evolution of the vibrational wave packet of H2+ formed by over-the-barrier ionization of H2 is tracked between the first and second ionization events with the temporal resolution of 140 attoseconds. The results have been compared with the experiment and found to be in excellent quantitative agreement. Our results show that the quasi-classical model accurately describes and predicts light-induced multi-electron processes in small molecules and can be applied to large molecules.

Classical Description of Molecular Attoclock to Simulate Coupled Electron-Nuclear Dynamics of H2 Molecule

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27th CRSI National Symposium in Chemistry

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