Open AccessNon-Adiabatic Molecular Dynamics Methods for Materials Discovery
Author(s) -
Filipp Furche,
Shane M. Parker,
Mikko Muuronen,
Saswata Roy
Publication year - 2017
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - Uncategorized
Resource type - Reports
DOI - 10.2172/1351540
Subject(s) - adiabatic process , time dependent density functional theory , molecular dynamics , density functional theory , surface hopping , nanoclusters , excited state , photoexcitation , chemistry , chemical physics , materials science , physics , statistical physics , computational chemistry , nanotechnology , atomic physics , quantum mechanics
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