Excited State Dynamics with Quantum Trajectories

Excited State Dynamics with Quantum Trajectories

Nuclear quantum dynamics beyond the Born-Oppenheimer approximation is performed using quantum trajectories. Withintheadiabaticrepresentationoftheelectronicstates, NABDY(NonAdiabaticBohmianDYnamics) is used in combination with DFT and LR-TDDFT to perform on-the-fly nonadiabatic quantum dyna...

Full description

Bibliographic Details
Main Authors: Basile F. E. Curchod, Ursula Rothlisberger, Ivano Tavernelli
Format: Article
Language:deu
Published: Swiss Chemical Society 2012-04-01
Series:CHIMIA
Subjects:
Born-oppenheimer approximation
Linear-response time-dependent density functional theory
Nonadiabatic dynamics
Quantum trajectories
Online Access:https://www.chimia.ch/chimia/article/view/5183

Internet

https://www.chimia.ch/chimia/article/view/5183

Similar Items