Coupled electron-nuclear quantum dynamics through and around a conical intersection

2017 ◽  
Vol 147 (6) ◽  
pp. 064302 ◽  
Author(s):  
Julian Albert ◽  
Kilian Hader ◽  
Volker Engel
Keyword(s):  
Quantum Dynamics ◽  
Conical Intersection

Quantum dynamics of a model system with a conical intersection

1997 ◽  
Vol 106 (3) ◽  
pp. 934-941 ◽  
Author(s):  
Alessandro Ferretti ◽  
Alessandro Lami ◽  
Giovanni Villani
Keyword(s):  
Quantum Dynamics ◽  
Model System ◽  
Conical Intersection

Quantum dynamics of the photostability of pyrazine

2015 ◽  
Vol 17 (44) ◽  
pp. 29518-29530 ◽  
Author(s):  
Matthieu Sala ◽  
Stéphane Guérin ◽  
Fabien Gatti
Keyword(s):  
Electronic State ◽  
Ground State ◽  
Quantum Dynamics ◽  
Ground Electronic State ◽  
Conical Intersection ◽  
Radiationless Decay

We propose a new mechanism for the radiationless decay of photoexcited pyrazine to its ground electronic state involving a conical intersection between the dark Au(nπ) state and the ground state.

Quantum dynamics around a non planar conical intersection in vinoxy radical relaxation

2006 ◽  
Vol 425 (1-3) ◽  
pp. 16-21 ◽  
Author(s):  
K. Piechowska-Strumik ◽  
D. Lauvergnat ◽  
M.-C. Bacchus-Montabonel ◽  
M. Desouter-Lecomte
Keyword(s):  
Quantum Dynamics ◽  
Conical Intersection

scholarly journals Polariton Induced Conical Intersection and Berry Phase

2021 ◽  
Author(s):  
Marwa Farag ◽  
Arkajit Mandal ◽  
Pengfei Huo
Keyword(s):  
Population Dynamics ◽  
Angular Distribution ◽  
Geometric Phase ◽  
Quantum Dynamics ◽  
Berry Phase ◽  
Optical Cavity ◽  
The Other ◽  
Conical Intersection ◽  
Fragment Angular Distribution ◽  
Molecular Rotations

We investigate the Polariton induced conical intersection (PICI) created from coupling a diatomicmolecule with the quantized photon mode inside an optical cavity, and the corresponding BerryPhase effects. We use the rigorous Pauli-Fierz Hamiltonian to describe the quantum light-matterinteractions between a LiF molecule and the cavity, and exact quantum propagation to investigatethe polariton quantum dynamics. The molecular rotations relative to the cavity polarization directionplay a role as the tuning mode of the PICI, resulting in an effective CI even within a diatomic molecule.To clearly demonstrate the dynamical effects of the Berry phase, we construct two additional modelsthat have the same Born-Oppenheimer surface, but the effects of the geometric phase are removed.We find that when the initial wavefunction is placed in the lower polaritonic surface, the Berryphase causes aπphase-shift in the wavefunction after the encirclement around the CI, indicatedfrom the nuclear probability distribution. On the other hand, when the initial wavefunction is placedin the upper polaritonic surface, the geometric phase significantly influences the couplings betweenpolaritonic states and therefore, the population dynamics between them. These BP effects are furtherdemonstrated through the photo-fragment angular distribution. PICI created from the quantizedradiation field has the promise to open up new possibilities to modulate photochemical reactivities.

Conical-intersection quantum dynamics of OH(A2Σ+) + H(2S) collisions

2013 ◽  
Vol 139 (9) ◽  
pp. 094303 ◽  
Author(s):  
Pablo Gamallo ◽  
Sinan Akpinar ◽  
Paolo Defazio ◽  
Carlo Petrongolo
Keyword(s):  
Quantum Dynamics ◽  
Conical Intersection

scholarly journals Polariton Induced Conical Intersection and Berry Phase

2021 ◽  
Author(s):  
Marwa Farag ◽  
Arkajit Mandal ◽  
Pengfei Huo
Keyword(s):  
Population Dynamics ◽  
Angular Distribution ◽  
Geometric Phase ◽  
Quantum Dynamics ◽  
Berry Phase ◽  
Optical Cavity ◽  
The Other ◽  
Conical Intersection ◽  
Fragment Angular Distribution ◽  
Molecular Rotations

We investigate the Polariton induced conical intersection (PICI) created from coupling a diatomicmolecule with the quantized photon mode inside an optical cavity, and the corresponding BerryPhase effects. We use the rigorous Pauli-Fierz Hamiltonian to describe the quantum light-matterinteractions between a LiF molecule and the cavity, and exact quantum propagation to investigatethe polariton quantum dynamics. The molecular rotations relative to the cavity polarization directionplay a role as the tuning mode of the PICI, resulting in an effective CI even within a diatomic molecule.To clearly demonstrate the dynamical effects of the Berry phase, we construct two additional modelsthat have the same Born-Oppenheimer surface, but the effects of the geometric phase are removed.We find that when the initial wavefunction is placed in the lower polaritonic surface, the Berryphase causes aπphase-shift in the wavefunction after the encirclement around the CI, indicatedfrom the nuclear probability distribution. On the other hand, when the initial wavefunction is placedin the upper polaritonic surface, the geometric phase significantly influences the couplings betweenpolaritonic states and therefore, the population dynamics between them. These BP effects are furtherdemonstrated through the photo-fragment angular distribution. PICI created from the quantizedradiation field has the promise to open up new possibilities to modulate photochemical reactivities.

Quantum dynamics at a conical intersection: The role of the variation of oscillator frequencies in the diabatic transition

1998 ◽  
Vol 109 (20) ◽  
pp. 9002-9009 ◽  
Author(s):  
Alessandro Ferretti ◽  
Alessandro Lami ◽  
Giovanni Villani
Keyword(s):  
Quantum Dynamics ◽  
Conical Intersection
Sign in / Sign up

Export Citation Format

Share Document