Surface hopping within an exciton picture. An electrostatic embedding scheme

We report the development and the implementation of an exciton approach that allows ab initio nonadiabatic dynamics simulations of electronic excitation energy transfer in multichromophoric systems. For the dynamics, a trajectory-based strategy is used within the surface hopping formulation. The app...

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Bibliographic Details

Main Authors:	Maximilian F.S.J. Menger, Felix Plasser, Benedetta Mennucci, Leticia Gonzalez
Format:	Default Article
Published:	2018
Subjects:	Other chemical sciences not elsewhere classified Software engineering not elsewhere classified untagged Chemical Sciences not elsewhere classified Computer Software
Online Access:	https://hdl.handle.net/2134/36363
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