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Towards controlling the dissociation probability by light-induced conical intersections.

András Csehi1, Gábor J Halász2, Lorenz S Cederbaum3

  • 1Department of Theoretical Physics, University of Debrecen, PO Box 5, H-4010 Debrecen, Hungary. csehi.andras@science.unideb.hu vibok@phys.unieb.hu.

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This summary is machine-generated.

Researchers control molecular dissociation using chirped laser pulses to guide light-induced conical intersections (LICIs) with vibrational wave packets. This method offers a new pathway for precise control over chemical reaction dynamics.

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Area of Science:

  • Quantum Chemistry
  • Molecular Dynamics
  • Laser Physics

Background:

  • Light-induced conical intersections (LICIs) are crucial in molecular dynamics, influenced by laser frequency and intensity.
  • Previous studies indicated chirped laser pulses affect dissociation in D2+.

Purpose of the Study:

  • To investigate controlling molecular dissociation by synchronizing LICI movement with vibrational wave packets using chirped laser pulses.
  • To explore the impact of this controlled LICI movement on dissociation probabilities and vibrational state populations in D2+.

Main Methods:

  • Computational calculations employing chirped laser pulses with tailored frequency time-dependence.
  • Simulating the dynamics of the D2+ molecular ion under these controlled laser conditions.

Main Results:

  • Demonstrated the ability to move the LICI in tandem with the field-free vibrational wave packet.
  • Analyzed the resulting total dissociation probabilities and the distribution of population among vibrational levels.

Conclusions:

  • Synchronizing LICI movement with wave packets is a viable first step towards controlling molecular dissociation.
  • Chirped laser pulses offer a promising tool for manipulating nonadiabatic dynamics in diatomic molecules.