Molecular dynamics in exited systems; problems and application for photochemical reactions

dc.contributor.advisor	Lervik, Anders
dc.contributor.author
dc.date.accessioned	2021-09-28T18:28:45Z
dc.date.available	2021-09-28T18:28:45Z
dc.date.issued	2021
dc.identifier	no.ntnu:inspera:79526771:44848002
dc.identifier.uri	https://hdl.handle.net/11250/2785470
dc.description	Full text not available
dc.description.abstract
dc.description.abstract	This thesis aims to illustrate the limitations of quantum chemistry under the Born-Oppenheimer approx-imation, especially related to exited state systems and electronic transitions. Two of the most suitablemethods for excited state dynamics for photochemical processes, ab initio multiple spawning and tra-jectory surface hopping, are discussed as solutions to these problems in the context of applications.Further, possible future paths are discussed based on available literature including recent research basedon machine learning.
dc.language	eng
dc.publisher	NTNU
dc.title	Molecular dynamics in exited systems; problems and application for photochemical reactions
dc.type	Bachelor thesis

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