Optimal control of dissociation of nitrogen molecule with intense ultra-short laser pulse shaping

Rasti, S ; Sharif University of Technology | 2015

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  1. Type of Document: Article
  2. DOI: 10.1016/j.molstruc.2014.11.001
  3. Publisher: Elsevier , 2015
  4. Abstract:
  5. (GraphPresented) The quantum optimal control theory in conjunction with time dependent density functional theory is used to optimize the laser pulse shape for dissociation of nitrogen molecule. For several initial peak intensities and frequency ranges, the optimum shapes are produced and compared to determine the most efficient pulse. Ehrenfest molecular dynamics model is also used to test the dissociation process. The corresponding snapshots of density and time dependent electron localization function are presented. It is noticed that when the frequency ranges of laser pulses are doubled, it leads to 60% faster dissociation of N2 molecule
  6. Keywords:
  7. Algorithms ; Control theory ; Dissociation ; Laser pulses ; Laser theory ; Molecular dynamics ; Molecules ; Nitrogen ; Pulse shaping ; Pulse shaping circuits ; Dissociation process ; Electron localization function ; Molecular dynamics modeling ; Nitrogen molecule ; Optimal control theory ; Quantum optimal controls ; Short laser pulse ; Time dependent density functional theory ; Density functional theory
  8. Source: Journal of Molecular Structure ; Volume 1083 , March , 2015 , Pages 121-126 ; 00222860 (ISSN)
  9. URL: http://www.sciencedirect.com/science/article/pii/S0022286014010989