Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths

Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths

This paper reviews methods that aim at simulating nuclear quantum effects (NQEs) using generalized thermal baths. Generalized (or quantum) baths simulate statistical quantum features, and in particular zero-point energy effects, through non-Markovian stochastic dynamics. They make use of generalized...

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Bibliographic Details
Main Authors: Simon Huppert, Thomas Plé, Sara Bonella, Philippe Depondt, Fabio Finocchi
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Applied Sciences
Subjects:
generalized Langevin equation
nuclear quantum effects
quasi-classical simulations
fluctuation–dissipation theorem
Online Access:https://www.mdpi.com/2076-3417/12/9/4756

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