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Poster Communications Year : 2018

Revealing Non-adiabatic effects in lithium fluoride induced by quantized fields

Johan F. Triana
  • Function : Speaker
  • PersonId : 1035972
Daniel Peláez
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  • PersonId : 972740


The diatomic molecule lithium fluoride (LiF) is characterized by the presence of an avoided crossing between the two lowest 1Σ potential energy curves (covalentionic diabatic crossing). In the field-free dynamics, after a sudden excitation from the ground state 11Σ to the excited state 21Σ, the excited nuclear wave packet moves back and forth in the 21Σ state, however, close to the avoided crossing region, the non-adiabatic effects transfer population to the ground state 11Σ state, which eventually leads to dissociation. If LiF molecule interacts with electromagnetic fields, the light-matter coupling generates another avoided crossing known as light induced crossing, which has similar transfer properties that the non-adiabatic couplings. To ensure pure quantum effects generated by quantized fields, LiF molecule is immersed into an optical cavity, which is prepared with different quantum states of light, namely, Fock states, coherent states and squeezed coherent states. Results show that the effects on the molecular photodynamics and the dissociation yields of LiF are quite different from the semiclassical approach, where a classical electromagnetic field is employed. To understand the behaviour of the photonic-nuclear dynamics, the time dependent Schrödinger equation is solved by using the multiconfigurational time dependent Hartree method (MCTDH). Additionally, since currently there are not still studies or experiments to reveal the existence or position of the light induced crossing, another electronic state in the 1Π symmetry is included in the calculations to aim the detection of these non-adiabatic effects induced by the light-matter coupling in a subsequent experiment. References: [1] A. Csehi, G.J. Halász, L.S. Cederbaum, Á. Vibók, J. Phys. Chem. Lett. 8, 1624 (2017). [2] J.F. Triana, D. Peláez, J.L. Sanz-Vicario, J. Phys. Chem. A 112, 2266 (2018).
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hal-01863919 , version 1 (29-08-2018)


  • HAL Id : hal-01863919 , version 1


Johan F. Triana, Daniel Peláez, José Luis Sanz-Vicario. Revealing Non-adiabatic effects in lithium fluoride induced by quantized fields. High Dimensional Quantum Dynamics (HDQD), Aug 2018, Lille, France. , 2018. ⟨hal-01863919⟩
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