Collisional ‘heating’ of molecular rotations by positron impact: a computational analysis of the quantum dynamics

2005 ◽  
Vol 7 (2) ◽  
pp. 318-325 ◽  
Author(s):  
J. A. Sabin del Valle ◽  
F. A. Gianturco
Keyword(s):  
Quantum Dynamics ◽  
Computational Analysis ◽  
Positron Impact ◽  
Molecular Rotations ◽  
Collisional Heating

scholarly journals Application of the Wigner-Function Formulation to Mesoscopic Systems in Presence of Electron-Phonon Interaction

VLSI Design ◽  
1998 ◽  
Vol 8 (1-4) ◽  
pp. 185-190 ◽  
Author(s):  
C. Jacoboni ◽  
A. Abramo ◽  
P. Bordone ◽  
R. Brunetti ◽  
M. Pascoli
Keyword(s):  
Wigner Function ◽  
Quantum Dynamics ◽  
Computational Analysis ◽  
Charge Carriers ◽  
Open Boundary ◽  
Open Boundary Conditions ◽  
Mesoscopic Systems ◽  
Phonon Interaction ◽  
Electron Phonon Interaction ◽  
Function Formulation

A theoretical and computational analysis of the quantum dynamics of charge carriers in presence of electron-phonon interaction based on the Wigner function is here applied to the study of transport in mesoscopic systems. Numerical applications are shown for a) a wave packet scattering with phonons while crossing a potential profile and b) electrons scattering with phonons in a finite device with open boundary conditions.

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.

Measurement and Three-Dimensional Computational Analysis for Flow Electrification in Complex-Shaped Ducts

2016 ◽  
Vol 136 (3) ◽  
pp. 318-324
Author(s):  
Naoya Miyamoto ◽  
Makoto Koizumi ◽  
Hiroshi Miyao ◽  
Takayuki Kobayashi ◽  
Kojiro Aoki
Keyword(s):  
Computational Analysis ◽  
Three Dimensional ◽  
Flow Electrification
Sign in / Sign up

Export Citation Format

Share Document