Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory
(2014)
Journal Article
Richardson, J. O., & Thoss, M. (2014). Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory. The Journal of Chemical Physics, 141(7), Article 074106. https://doi.org/10.1063/1.4892865
There is currently much interest in the development of improved trajectory-based methods for the simulation of nonadiabatic processes in complex systems. An important goal for such methods is the accurate calculation of the rate constant over a wide... Read More about Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory.