Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Journal of Chemical Theory and Computation

Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation

Ivan S. Ufimtsev, Todd J. Martı́nez

Published Oct 27, 2009• 22 citations
Publisher

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVErratumORIGINAL ARTICLEThis notice is a correctionQuantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) ImplementationIvan S. Ufimtsev and Todd J. Martinez*Cite this: J. Chem. Theory Comput. 2009, 5, 11, 3138Publication Date (Web):October 27, 2009Publication History Received14 August 2009Published online27 October 2009Published inissue 10 November 2009https://pubs.acs.org/doi/10.1021/ct900433ghttps://doi.org/10.1021/ct900433gcorrectionACS PublicationsCopyright © 2009 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 Views1068Altmetric-Citations17LEARN 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 (29 KB) Get e-Alertsclose Get e-Alerts

DOI
10.1021/ct900433g

Related papers

Accurate and Efficient Quantum Chemistry by Locality of Chemical Interactions

Linjun Wang, Oleg V. Prezhdo

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

The Journal of Physical Chemistry Letters•Dec 18, 2014•2 citations

Quantum Mechanics

C. J. Goebel

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

Journal of the American Chemical Society•Sep 1, 1962•0 citations

Remarks on "quantum chaos"

Philip Pechukas

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRemarks on "quantum chaos"Philip PechukasCite this: J. Phys. Chem. 1984, 88, 21, 4823–4829Publication Date (Print):October 1, 1984Publication History Published online1 May 2002Published inissue 1 October 1984https://pubs.acs.org/doi/10.1021/j150665a006https://doi.org/10.1021/j150665a006research-articleACS PublicationsRequest reuse permissionsArticle Views157Altmetric-Citations48LEARN 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 options Get e-Alerts

The Journal of Physical Chemistry•Oct 1, 1984•57 citations

Electron experiments support quantum theory

Science Service

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectron experiments support quantum theoryScience Service Cite this: J. Chem. Educ. 1929, 6, 10, 1686Publication Date (Print):October 1, 1929Publication History Received3 August 2009Published online1 October 1929Published inissue 1 October 1929https://doi.org/10.1021/ed006p1686RIGHTS & PERMISSIONSArticle Views42Altmetric-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 InReddit PDF (561 KB) Get e-Alerts Get e-Alerts

Journal of Chemical Education•Oct 1, 1929•0 citations

Quantum Analytics

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTQuantum AnalyticsCite this: Anal. Chem. 1991, 63, 3, 162APublication Date (Print):February 1, 1991Publication History Published online30 May 2012Published inissue 1 February 1991https://doi.org/10.1021/ac00003a746Request reuse permissions Article Views22Altmetric-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 InReddit PDF (650 KB) Get e-Alertsclose Get e-Alerts

Analytical Chemistry•Feb 1, 1991•0 citations

Femtosecond Lasers for Quantum Information Technology

Regina de Vivie‐Riedle, Ulrike Troppmann

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFemtosecond Lasers for Quantum Information TechnologyRegina de Vivie-Riedle and Ulrike TroppmannView Author Information Department Chemie, Ludwig Maximilians Universität, Butenandtstrasse 11, 81377 München, Germany Cite this: Chem. Rev. 2007, 107, 11, 5082–5100Publication Date (Web):October 23, 2007Publication History Received13 July 2006Published online23 October 2007Published inissue 1 November 2007https://pubs.acs.org/doi/10.1021/cr040094lhttps://doi.org/10.1021/cr040094lresearch-articleACS PublicationsCopyright © 2007 American Chemical SocietyRequest reuse permissionsArticle Views1591Altmetric-Citations85LEARN 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:Algorithms,Lasers,Molecules,Phase transitions,Phases of matter Get e-Alerts

Chemical Reviews•Oct 23, 2007•102 citations
ADVERTISEMENT RETURN TO ISSUEPREVErratumORIGINAL ARTICLEThis notice is a correctionQuantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) ImplementationIvan S. Ufimtsev and Todd J. Martinez*Cite this: J. Chem. Theory Comput. 2009, 5, 11, 3138Publication Date (Web):October 27, 2009Publication History Received14 August 2009Published online27 October 2009Published inissue 10 November 2009https://pubs.acs.org/doi/10.1021/ct900433ghttps://doi.org/10.1021/ct900433gcorrectionACS PublicationsCopyright © 2009 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 Views1068Altmetric-Citations17LEARN 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 (29 KB) Get 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
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 ISSUEPREVArticleNEXTRemarks on "quantum chaos"Philip PechukasCite this: J. Phys. Chem. 1984, 88, 21, 4823–4829Publication Date (Print):October 1, 1984Publication History Published online1 May 2002Published inissue 1 October 1984https://pubs.acs.org/doi/10.1021/j150665a006https://doi.org/10.1021/j150665a006research-articleACS PublicationsRequest reuse permissionsArticle Views157Altmetric-Citations48LEARN 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 options Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectron experiments support quantum theoryScience Service Cite this: J. Chem. Educ. 1929, 6, 10, 1686Publication Date (Print):October 1, 1929Publication History Received3 August 2009Published online1 October 1929Published inissue 1 October 1929https://doi.org/10.1021/ed006p1686RIGHTS & PERMISSIONSArticle Views42Altmetric-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 InReddit PDF (561 KB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTQuantum AnalyticsCite this: Anal. Chem. 1991, 63, 3, 162APublication Date (Print):February 1, 1991Publication History Published online30 May 2012Published inissue 1 February 1991https://doi.org/10.1021/ac00003a746Request reuse permissions Article Views22Altmetric-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 InReddit PDF (650 KB) Get e-Alertsclose Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFemtosecond Lasers for Quantum Information TechnologyRegina de Vivie-Riedle and Ulrike TroppmannView Author Information Department Chemie, Ludwig Maximilians Universität, Butenandtstrasse 11, 81377 München, Germany Cite this: Chem. Rev. 2007, 107, 11, 5082–5100Publication Date (Web):October 23, 2007Publication History Received13 July 2006Published online23 October 2007Published inissue 1 November 2007https://pubs.acs.org/doi/10.1021/cr040094lhttps://doi.org/10.1021/cr040094lresearch-articleACS PublicationsCopyright © 2007 American Chemical SocietyRequest reuse permissionsArticle Views1591Altmetric-Citations85LEARN 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:Algorithms,Lasers,Molecules,Phase transitions,Phases of matter Get e-Alerts