Work

An Electronically Non-Adiabatic Generalization of Ring Polymer Molecular Dynamics

Year: 2013
Type: preprint
Abstract: In this thesis I generalize Ring Polymer Molecular Dynamics (RPMD) rate theory to electronically non-adiabatic systems, followed by application to two one-dimensional curve crossing models and a multidimensional spin-boson model.
Language: English
Open Access status: green
OpenAlex ID: W2254434994
Cites: 7
Cited by: 18
Related to: 19