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dc.contributor.author
Nelson, Tammie R.  
dc.contributor.author
Fernández Alberti, Sebastián  
dc.contributor.author
Tretiak, Sergei  
dc.date.available
2023-08-02T14:34:48Z  
dc.date.issued
2022-11  
dc.identifier.citation
Nelson, Tammie R.; Fernández Alberti, Sebastián; Tretiak, Sergei; Modeling excited-state molecular dynamics beyond the Born–Oppenheimer regime; Nature Publishing Group; Nature Computational Science; 2; 11; 11-2022; 689-692  
dc.identifier.uri
http://hdl.handle.net/11336/206511  
dc.description.abstract
Nonadiabatic molecular dynamics is the method of choice for modeling a wide range of excited-state phenomena. Although much progress has been made in improving the usability and efficiency of ground-state calculations, there are still challenges in translating this advance to the excited state.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Nature Publishing Group  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Nonadiabatic dynamics  
dc.subject
Excited states  
dc.subject
Conjugated molecules  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Modeling excited-state molecular dynamics beyond the Born–Oppenheimer regime  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2023-08-02T10:54:39Z  
dc.identifier.eissn
2662-8457  
dc.journal.volume
2  
dc.journal.number
11  
dc.journal.pagination
689-692  
dc.journal.pais
Reino Unido  
dc.journal.ciudad
Londres  
dc.description.fil
Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados Unidos  
dc.description.fil
Fil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unidos  
dc.journal.title
Nature Computational Science  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.nature.com/articles/s43588-022-00357-3  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1038/s43588-022-00357-3  

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