Fragmentation Methods: A Route to Accurate Calculations on Large Systems

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Abstract

ADVERTISEMENT RETURN TO ISSUEPREVReviewFragmentation Methods: A Route to Accurate Calculations on Large SystemsMark S. Gordon*†, Dmitri G. Fedorov‡, Spencer R. Pruitt†, and Lyudmila V. Slipchenko§View Author Information† Department of Chemistry and Ames Laboratory, Iowa State University, Ames Iowa 50011, United States‡ Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan§ Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States*E-mail: [email protected]Cite this: Chem. Rev. 2012, 112, 1, 632–672Publication Date (Web):August 26, 2011Publication History Received27 March 2011Published online26 August 2011Published inissue 11 January 2012https://pubs.acs.org/doi/10.1021/cr200093jhttps://doi.org/10.1021/cr200093jreview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views10949Altmetric-Citations884LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Chemical calculations,Energy,Fragmentation,Molecules,Polarization Get e-Alerts

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