Earth Mover's Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality
dc.contributor.author | Fraiponts, Mathias | |
dc.contributor.author | Maes, Wouter | |
dc.contributor.author | Champagne, Benoit | |
dc.date.accessioned | 2024-05-30T13:03:14Z | |
dc.date.available | 2024-03-29T18:12:35Z | |
dc.date.available | 2024-05-30T13:03:14Z | |
dc.date.issued | 2024 | |
dc.identifier.issn | 1549-9618 | |
dc.identifier.other | WOS:001177354900001 | |
dc.identifier.uri | https://imec-publications.be/handle/20.500.12860/43749.2 | |
dc.source | WOS | |
dc.title | Earth Mover's Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality | |
dc.type | Journal article | |
dc.contributor.imecauthor | Fraiponts, Mathias | |
dc.contributor.imecauthor | Maes, Wouter | |
dc.contributor.orcidimec | Maes, Wouter::0000-0001-7883-3393 | |
dc.identifier.doi | 10.1021/acs.jctc.3c01148 | |
dc.source.numberofpages | 10 | |
dc.source.peerreview | yes | |
dc.source.beginpage | 2751 | |
dc.source.endpage | 2760 | |
dc.source.journal | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | |
dc.identifier.pmid | MEDLINE:38407044 | |
dc.source.issue | 7 | |
dc.source.volume | 2023 | |
imec.availability | Published - imec | |
dc.description.wosFundingText | This work has been realized through the support of the University of Namur and the Special Research Fund of Hasselt University(BOF20DOCNA01). W. Maes thanks the Research Foundation Flanders(FWO Vlaanderen) for financial support (projects G0D1521N and W000620N).The calculations were performed on the computers of the Consortium des Equipements de Calcul Intensif (CECI, http://www.ceci-hpc.be)and particularly those of the Technological Platform of High-Performance Computing, for which the authors gratefully acknowledge the financial support of the FNRS-FRFC, of the Walloon Region, and of the University of Namur(Conventions No. 2.5020.11, U.G006.15, U.G018.19, U.G011.22, RW1610468, and RW/GEQ2016). |
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