Effect of the geometric phase on nuclear dynamics at a conical intersection: Extension of a recent topological approach from one to two coupled surfaces

2008 ◽  
Vol 129 (21) ◽  
pp. 214117 ◽  
Author(s):  
Stuart C. Althorpe ◽  
Thomas Stecher ◽  
Foudhil Bouakline
Keyword(s):  
Geometric Phase ◽  
Conical Intersection ◽  
Nuclear Dynamics ◽  
Topological Approach

scholarly journals Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

2015 ◽  
Vol 17 (11) ◽  
pp. 113023 ◽  
Author(s):  
Maria Richter ◽  
Foudhil Bouakline ◽  
Jesús González-Vázquez ◽  
Lara Martínez-Fernández ◽  
Inés Corral ◽  
...  
Keyword(s):  
Conical Intersection ◽  
Nuclear Dynamics ◽  
Laser Cycle

scholarly journals Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

2013 ◽  
Vol 139 (4) ◽  
pp. 044110 ◽  
Author(s):  
David Mendive-Tapia ◽  
Morgane Vacher ◽  
Michael J. Bearpark ◽  
Michael A. Robb
Keyword(s):  
Charge Transfer ◽  
Conical Intersection ◽  
Charge Migration ◽  
Nuclear Dynamics

Electronic Control of Initial Nuclear Dynamics Adjacent to a Conical Intersection

2014 ◽  
Vol 119 (21) ◽  
pp. 5165-5172 ◽  
Author(s):  
Morgane Vacher ◽  
Jan Meisner ◽  
David Mendive-Tapia ◽  
Michael J. Bearpark ◽  
Michael A. Robb
Keyword(s):  
Conical Intersection ◽  
Electronic Control ◽  
Nuclear Dynamics

scholarly journals Resolving Competing Conical Intersection Pathways: Time-Resolved X-ray Absorption Spectroscopy of trans-1,3-Butadiene

2021 ◽  
Author(s):  
Issaka Seidu ◽  
Simon Neville ◽  
Ryan J MacDonell ◽  
Michael S. Schuurman
Keyword(s):  
Absorption Spectroscopy ◽  
Conical Intersection ◽  
Theoretical Studies ◽  
Nuclear Dynamics ◽  
Time Resolved ◽  
X Ray ◽  
Excited Molecules ◽  
X Ray Absorption

Time-resolved X-ray absorption spectroscopy is emerging as a uniquely powerful tool to probe coupled electronic-nuclear dynamics in photo-excited molecules. Theoretical studies to date have established that time-resolved X-ray absorption spectroscopy...

Observation of the geometric phase effect in the H + HD → H2+ D reaction

Science ◽  
2018 ◽  
Vol 362 (6420) ◽  
pp. 1289-1293 ◽  
Author(s):  
Daofu Yuan ◽  
Yafu Guan ◽  
Wentao Chen ◽  
Hailin Zhao ◽  
Shengrui Yu ◽  
...  
Keyword(s):  
Cross Sections ◽  
Geometric Phase ◽  
Potential Energy Surfaces ◽  
Molecular Beams ◽  
Conical Intersection ◽  
Molecular Systems ◽  
Quantum State Resolved ◽  
State Potential ◽  
Energy Surfaces ◽  
Angular Oscillations

Theory has established the importance of geometric phase (GP) effects in the adiabatic dynamics of molecular systems with a conical intersection connecting the ground- and excited-state potential energy surfaces, but direct observation of their manifestation in chemical reactions remains a major challenge. Here, we report a high-resolution crossed molecular beams study of the H + HD → H2+ D reaction at a collision energy slightly above the conical intersection. Velocity map ion imaging revealed fast angular oscillations in product quantum state–resolved differential cross sections in the forward scattering direction for H2products at specific rovibrational levels. The experimental results agree with adiabatic quantum dynamical calculations only when the GP effect is included.

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.

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.

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