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Date
2020-11-23Type
- Book Chapter
ETH Bibliography
yes
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Abstract
In this chapter, we describe methods for simulating non‐adiabatic dynamics based on the path‐integral formulation of quantum mechanics. In order to employ trajectory calculations to a system of more than one electronic state, we introduce the mapping formalism and explain how this approach can be used with linearized semiclassical or ring‐polymer molecular dynamics. Show more
Publication status
publishedEditor
Book title
Quantum Chemistry and Dynamics of Excited States: Methods and ApplicationsPages / Article No.
Publisher
WileySubject
equilibrium correlation functions; non‐adiabatic dynamics; non‐adiabatic path‐integral theory; path‐integral approachesOrganisational unit
09602 - Richardson, Jeremy / Richardson, Jeremy
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ETH Bibliography
yes
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