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Correcting the Charge Delocalization Error of Density Funct..:
Emil Proynov (1441654)
;
Jing Kong (531041)
https://figshare.com/articles/journal_contribution/Correcting_the_Charge_Delocalization_Error_of_Density_Functional_Theory/15046767. , 2021
Link:
https://doi.org/10.1021/acs.jctc.1c00197.s001
RT Journal T1 <Title>Correcting the Charge Delocalization Error of Density Functional Theory</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_15046767&Exemplar=1&LAN=DE A1 Emil Proynov (1441654) A1 Jing Kong (531041) YR 2021 K1 Biophysics K1 Biochemistry K1 Computational Biology K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 SIE K1 multielectron self-interaction error K1 cluster K1 Contemporary functionals undershoot K1 Charge Delocalization Error K1 CH K1 Density Functional Theory K1 nondynamic correlation K1 CCSD K1 dissociation JF https://figshare.com/articles/journal_contribution/Correcting_the_Charge_Delocalization_Error_of_Density_Functional_Theory/15046767 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00197.s001 DO https://doi.org/10.1021/acs.jctc.1c00197.s001 SF ELIB - SuUB Bremen
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