Light-induced photodissociation on the lowest three electronic states of NaH molecule
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arXiv
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| Autori principali: | , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866910309785010176 |
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| author | Umarov, Otabek Csehi, András Badankó, Péter Halász, Gábor J. Vibók, Ágnes |
| author_facet | Umarov, Otabek Csehi, András Badankó, Péter Halász, Gábor J. Vibók, Ágnes |
| contents | 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 have been performed with the NaH molecule involving the first three singlet electronic states (X1Σ+(X), A1Σ+(A) and B1Π(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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_14080 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Light-induced photodissociation on the lowest three electronic states of NaH molecule Umarov, Otabek Csehi, András Badankó, Péter Halász, Gábor J. Vibók, Ágnes Chemical Physics 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 have been performed with the NaH molecule involving the first three singlet electronic states (X1Σ+(X), A1Σ+(A) and B1Π(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. |
| title | Light-induced photodissociation on the lowest three electronic states of NaH molecule |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2401.14080 |