Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method

© 2017 Author(s). We report an implementation for employing the algebraic diagrammatic construction to second order [ADC(2)] ab initio electronic structure level of theory in nonadiabatic dynamics simulations in the framework of the SHARC (surface hopping including arbitrary couplings) dynamics meth...

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Bibliographic Details

Main Authors:	Sebastian Mai, Felix Plasser, Mathias Pabst, Frank Neese, Andreas Kohn, Leticia Gonzalez
Format:	Default Article
Published:	2017
Subjects:	Other chemical sciences not elsewhere classified untagged Chemical Sciences not elsewhere classified
Online Access:	https://hdl.handle.net/2134/32126
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