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dc.contributor.advisorLervik, Anders
dc.contributor.author
dc.date.accessioned2021-09-28T18:28:45Z
dc.date.available2021-09-28T18:28:45Z
dc.date.issued2021
dc.identifierno.ntnu:inspera:79526771:44848002
dc.identifier.urihttps://hdl.handle.net/11250/2785470
dc.descriptionFull text not available
dc.description.abstract
dc.description.abstractThis 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.languageeng
dc.publisherNTNU
dc.titleMolecular dynamics in exited systems; problems and application for photochemical reactions
dc.typeBachelor thesis


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