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• W4313135704 abstract "In this chapter, I outline the fundamental concepts and frameworks used to construct trajectory-based methods of nonadiabatic dynamics simulations. The chapter is organized according to a common anatomy of multiple trajectory-based approaches rather than as a collection of accounts on existing methods. It highlights the natural evolution of the ideas behind these methods and provides glimpses into a more than 30-years history of such developments. Many reported computational schemes are composed of common methodological “building blocks” – the groups of algorithms tailored to various types of calculations involved in computational algorithms. The chapter overviews a wide variety of possibilities to conduct one or another part of such calculations and that can be regarded the methodological “building blocks”." @default.
• W4313135704 created "2023-01-06" @default.
• W4313135704 creator A5022879010 @default.
• W4313135704 date "2022-01-01" @default.
• W4313135704 modified "2023-10-18" @default.
• W4313135704 title "Fundamentals of Trajectory-Based Methods for Nonadiabatic Dynamics" @default.
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