Nonadiabatic ring-polymer molecular dynamics
(2013)
Journal Article
Richardson, J. O., & Thoss, M. (2013). Nonadiabatic ring-polymer molecular dynamics. The Journal of Chemical Physics, 139(3), Article 031102. https://doi.org/10.1063/1.4816124
A new method based on an extension of ring-polymer molecular dynamics is proposed for the calculation of thermal correlation functions in electronically nonadiabatic systems. The ring-polymer dynamics are performed using a continuous-variable represe... Read More about Nonadiabatic ring-polymer molecular dynamics.