Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00744
Abstract: We present a quantum dynamics method based on the propagation of interacting quantum trajectories to describe both adiabatic and nonadiabatic processes within the same formalism. The idea originates from the work of Poirier [Chem. Phys.2010,370,… read more here.
Keywords: quantum dynamics; quantum; adiabatic nonadiabatic; quantum trajectories ... See more keywords
Tunneling Quantum Dynamics in Ammonia
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms22158282
Abstract: Ammonia is a well-known example of a two-state system and must be described in quantum-mechanical terms. In this article, we will explain the tunneling phenomenon that occurs in ammonia molecules from the perspective of trajectory-based… read more here.
Keywords: quantum; quantum trajectories; dynamics ammonia; nitrogen atom ... See more keywords