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The performance of local functionals is important because of their economy and convenience for large-scale calculations; we find that M06-L local functional of the M06 family largely improves over the local spin density approximation and the generalized gradient approximation.<\/jats:p>","DOI":"10.1063\/1.2838987","type":"journal-article","created":{"date-parts":[[2008,3,19]],"date-time":"2008-03-19T22:27:07Z","timestamp":1205965627000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":253,"title":["Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules"],"prefix":"10.1063","volume":"128","author":[{"given":"Rosendo","family":"Valero","sequence":"first","affiliation":[{"name":"University of Minnesota 1 Department of Chemistry and Supercomputing Institute, , Minneapolis, Minnesota 55455-0431, USA"}]},{"given":"Ramon","family":"Costa","sequence":"additional","affiliation":[{"name":"Universitat de Barcelona 2 Departament de Qu\u00edmica Inorg\u00e0nica and Institut de Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB) , C\/Mart\u00ed i Franqu\u00e8s 1, 08028 Barcelona, Spain"}]},{"given":"Ib\u00e9rio","family":"de P. 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