乐胖代购免代理版

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Therein, the authors claim that the second\u2010order, perturbative correlation correction applied to the time\u2010dependent version of the PBE\u2010QIDH global double\u2010hybrid functional approximation (DHDFA) enables the description of charge\u2010transfer (CT) excitations. Herein, we point out some inadvertent oversights related to what had already been previously known and achieved in the field of time\u2010dependent DHDFAs. Exemplified for the same four systems that Ottochian et al. have used to analyze intermolecular CT excitations, we show how a systematic and unacceptably large redshift in global DHDFAs is rectified when using the latest long\u2010range corrected DHDFAs published earlier in J. Chem. Theory Comput<\/jats:italic>. 2019<\/jats:bold>, 15<\/jats:italic>, 4735.<\/jats:p>","DOI":"10.1002\/jcc.26478","type":"journal-article","created":{"date-parts":[[2021,1,12]],"date-time":"2021-01-12T22:55:25Z","timestamp":1610492125000},"page":"528-533","update-policy":"http:\/\/dx.doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["Global double hybrids do not work for charge transfer: A comment on \u201cDouble hybrids and time\u2010dependent density functional theory: An implementation and benchmark on charge transfer excited states\u201d"],"prefix":"10.1002","volume":"42","author":[{"ORCID":"http:\/\/orcid.org\/0000-0002-6182-9109","authenticated-orcid":false,"given":"Marcos","family":"Casanova\u2010P\u00e1ez","sequence":"first","affiliation":[{"name":"School of Chemistry The University of Melbourne Melbourne Victoria Australia"}]},{"ORCID":"http:\/\/orcid.org\/0000-0003-3155-675X","authenticated-orcid":false,"given":"Lars","family":"Goerigk","sequence":"additional","affiliation":[{"name":"School of Chemistry The University of Melbourne Melbourne Victoria Australia"}]}],"member":"311","published-online":{"date-parts":[[2021,1,7]]},"reference":[{"key":"e_1_2_2_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26170"},{"key":"e_1_2_2_3_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.52.997"},{"key":"e_1_2_2_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1193"},{"key":"e_1_2_2_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(99)01149-5"},{"key":"e_1_2_2_6_1","doi-asserted-by":"publisher","DOI":"10.1071\/CH20093"},{"key":"e_1_2_2_7_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2148954"},{"key":"e_1_2_2_8_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"e_1_2_2_9_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"e_1_2_2_10_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2772854"},{"key":"e_1_2_2_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(94)00070-0"},{"key":"e_1_2_2_12_1","volume-title":"Gaussian16","author":"Frisch M. 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