Path‐Integral Approaches to Non‐Adiabatic Dynamics
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Date
2020-11-23
Publication Type
Book Chapter
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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.
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Publication status
published
Editor
Book title
Quantum Chemistry and Dynamics of Excited States: Methods and Applications
Journal / series
Volume
Pages / Article No.
629 - 653
Publisher
Wiley
Event
Edition / version
Methods
Software
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Date collected
Date created
Subject
equilibrium correlation functions; non‐adiabatic dynamics; non‐adiabatic path‐integral theory; path‐integral approaches
Organisational unit
09602 - Richardson, Jeremy / Richardson, Jeremy