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Chemical Reviews

Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

David A. Mazziotti

Published Aug 25, 2011• 187 citations
Publisher

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTTwo-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and PhysicsDavid A. Mazziotti*View Author Information Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States*Electronic address: [email protected]Cite this: Chem. Rev. 2012, 112, 1, 244–262Publication Date (Web):August 25, 2011Publication History Received9 February 2011Published online25 August 2011Published inissue 11 January 2012https://pubs.acs.org/doi/10.1021/cr2000493https://doi.org/10.1021/cr2000493review-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views6024Altmetric-Citations134LEARN 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:Basis sets,Chemical calculations,Energy,Hydrogen,Mathematical methods Get e-Alerts

DOI
10.1021/cr2000493

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ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTQuantum MechanicsC. J. GoebelCite this: J. Am. Chem. Soc. 1962, 84, 17, 3414Publication Date (Print):September 1, 1962Publication History Published online1 May 2002Published inissue 1 September 1962https://pubs.acs.org/doi/10.1021/ja00876a049https://doi.org/10.1021/ja00876a049research-articleACS PublicationsRequest reuse permissionsArticle Views48Altmetric-Citations-LEARN 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 Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEEditorialNEXTAccurate and Efficient Quantum Chemistry by Locality of Chemical InteractionsLinjun Wang and Oleg V. Prezhdo*View Author Information Department of Chemistry, University of Southern California, Los Angeles, California 90089, United StatesCite this: J. Phys. Chem. Lett. 2014, 5, 24, 4317–4318Publication Date (Web):December 18, 2014Publication History Published online18 December 2014Published inissue 18 December 2014https://pubs.acs.org/doi/10.1021/jz5024256https://doi.org/10.1021/jz5024256editorialACS PublicationsCopyright © 2014 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views729Altmetric-Citations2LEARN 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 PDF (145 KB) Get e-AlertscloseSUBJECTS:Basis sets,Crystals,Density functional theory,Noncovalent interactions,Quantum mechanics Get e-Alerts
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ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTToward Cold Chemistry with Magnetically Decelerated Supersonic BeamsEdvardas Narevicius*† and Mark G. Raizen‡View Author Information† Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100, Israel‡ Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Austin, Texas 78712, United States *E-mail: [email protected]Cite this: Chem. Rev. 2012, 112, 9, 4879–4889Publication Date (Web):July 24, 2012Publication History Received6 December 2011Published online24 July 2012Published inissue 12 September 2012https://pubs.acs.org/doi/10.1021/cr2004597https://doi.org/10.1021/cr2004597review-articleACS PublicationsCopyright © 2012 American Chemical SocietyRequest reuse permissionsArticle Views2093Altmetric-Citations79LEARN 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:Cancer,Hydrogen,Kinetics,Magnetic properties,Molecules Get e-Alerts
Preface. I: Properties of Reduced Density Matrices. 1. RDMs: How Did We Get Here? A.J. Coleman. 2. Some Theorems on Uniqueness and Reconstruction of Higher-Order Density Matrices M. Rosina. 3. Cumulant Expansions of Reduced Densities, Reduced Density Matrices, and Green's Functions P. Ziesche. 4. On Calculating Approximate and Exact Density Matrices R. Erdahl, B. Jin. II: The Contracted Schroedinger Equation. 5. Density Equation Theory in Chemical Physics H. Nakatsuji. 6. Critical Questions Concerning Iterative Solution of the Contracted Schroedinger Equation C. Valdemoro, L.M. Tel, E. Perez-Romero 7. Cumulants and the Contracted Schroedinger Equation D.A. Mazziotti.. III: Density Matrix Functional Theory. 8. Natural Orbital Functional Theory S. Goedecker, C.J. Umrigar. 9. The Pair Density in Approximate Density Functional Theory: The Hidden Agent N.T. Maitra, K. Burke. 10. Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Hooke's Atom E.V. Ludena, V. Karasiev, A. Artemiev, D. Gomez.. IV: Electron Intracule and Extracule Densities. 11. Intracule and Extracule Densities: Historical Perspectives and Future Prospects E. Valderrama, J.M. Ugalde, R.J. Boyd. 12. Topology of Electron Correlation J. Cioslowski. 13. Electron-Pair Densities of Atoms T. Koga. Index.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTwo-state systems in semiclassical and quantized fieldsP. K. Aravind and J. O. HirschfelderCite this: J. Phys. Chem. 1984, 88, 21, 4788–4801Publication Date (Print):October 1, 1984Publication History Published online1 May 2002Published inissue 1 October 1984https://doi.org/10.1021/j150665a002Request reuse permissionsArticle Views743Altmetric-Citations90LEARN 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 InReddit PDF (1 MB) Get e-Alerts