Title :

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

Author(s) :

Triana, Johan F. [Orateur]
Peláez, Daniel [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Sanz-Vicario, José Luis [Auteur]

Conference title :

High Dimensional Quantum Dynamics (HDQD)

City :

Lille

Country :

France

Start date of the conference :

2018-08-28

Publication date :

2018-08-28

HAL domain(s) :

Chimie/Chimie théorique et/ou physique
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]

English abstract : [en]

The diatomic molecule lithium fluoride (LiF) is characterized by the presence ofan avoided crossing between the two lowest ¹Σ potential energy curves (covalentionic diabatic crossing). In the field-free ...
Show more >The diatomic molecule lithium fluoride (LiF) is characterized by the presence ofan 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).Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL