Light-induced photodissociation in the lowest three electronic states of the NaH molecule

Otabek, Umarov and Csehi, András and Badankó, Péter and Halász, Gábor and Vibók, Ágnes (2024) Light-induced photodissociation in the lowest three electronic states of the NaH molecule. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26 (8). pp. 7211-7223. ISSN 1463-9076

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Abstract

It has been known that electronic conical intersections in a molecular system can also be created by laser light even in diatomics. The direct consequence of these light-induced degeneracies is the appearance of a strong mixing between the electronic and vibrational motions, which has a strong fingerprint on the ultrafast nuclear dynamics. In the present work, pump and probe numerical simulations are performed with the NaH molecule involving the first three singlet electronic states (X1 sigma+(X), A1 sigma+(A) and B1 pi(B)) and several light-induced degeneracies in the numerical description. To demonstrate the impact of the multiple light-induced non-adiabatic effects together with the molecular rotation on the dynamical properties of the molecule, the dissociation probabilities, kinetic energy release spectra (KER) and the angular distributions of the photofragments were calculated by discussing the role of the permanent dipole moment as well.It has been known that electronic conical intersections in a molecular system can also be created by laser light even in diatomics.

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