Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices

We simulate the nonadiabatic molecular dynamics of ammonia photodissociation in the presence of an external laser field by using an approximate Floquet Hamiltonian. The dipole-field interaction gives rise to seams of light-induced conical intersection (LICI), which can significantly change the topography of the coupled potential energy surfaces. We perform quasiclassical trajectories based on recently reported diabatic potential energy matrices (DPEM) and dipole matrices. It is shown that the branching ratio of ground and excited state NH<sub>2</sub> is drastically altered by laser-dipole interaction, which is a signature of nonadiabatic effects induced by light.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2024-09-20
DOI
https://doi.org/10.1021/acs.jpclett.4c02312
Citations
2
Primary Topic
Quantum, superfluid, helium dynamics
Type
article
Field-Weighted Citation Impact
0.68

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article

Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices

David R. Yarkony, Chris Avanessian, Yuchen Wang
2 citations
The Journal of Physical Chemistry Letters
Quantum, superfluid, helium dynamics
0.68
article

Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices

David R. Yarkony, Chris Avanessian, Yuchen Wang
article en
2 citations

Abstract

We simulate the nonadiabatic molecular dynamics of ammonia photodissociation in the presence of an external laser field by using an approximate Floquet Hamiltonian. The dipole-field interaction gives rise to seams of light-induced conical intersection (LICI), which can significantly change the topography of the coupled potential energy surfaces. We perform quasiclassical trajectories based on recently reported diabatic potential energy matrices (DPEM) and dipole matrices. It is shown that the branching ratio of ground and excited state NH<sub>2</sub> is drastically altered by laser-dipole interaction, which is a signature of nonadiabatic effects induced by light.

The Journal of Physical Chemistry LettersVol. 15(39)
Johns Hopkins University (US)
National Science Foundation
Affordable and clean energy
Openalex Percentile: Top 31%
Quantum, superfluid, helium dynamics
0.68
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Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices — David R. Yarkony, Chris Avanessian, et al. · The Journal of Physical Chemistry Letters (2024) | TGRS Research Map | TGRS