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1: Tree diagram of the titles for the eleven approaches to obtaining the memory kernel explored in this chapter.

1: Tree diagram of the titles for the eleven approaches to obtaining the memory kernel explored in this chapter.

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One of the greatest challenges facing computational chemistry is the simulation of electronically nonadiabatic dynamics. While there are several reduced dynamics methods for doing so, they often rely on restrictive assumptions such as weak coupling between the electronic and nuclear degrees of freedom (DOF) or between electronic states. An alternat...