1.Ab initio theory and modeling of water

作　　者：Mohan Chen ;Hsin-Yu Ko ;Hsin-Yu Ko 等

出　　处：Proceedings of the National Academy of Sciences. 2017 ;114(41):10846-10851.doi:10.1073/pnas.1712499114

出版社：The National Academy of Sciences of the United States of America

文章 ID：201927264

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2.Semilocal density functional obeying a strongly tightened bound for exchange

作　　者：Jianwei Sun ;John P. Perdew ;Adrienn Ruzsinszky

出　　处：Proceedings of the National Academy of Sciences. 2015 ;112(3):685-689.doi:10.1073/pnas.1423145112

出版社：The National Academy of Sciences of the United States of America

文章 ID：97514142

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3.Competing stripe and magnetic phases in the cuprates from first principles

作　　者：Yubo Zhang ;Christopher Lane ;James W. Furness 等

出　　处：Proceedings of the National Academy of Sciences. 2020 ;117(1):68-72.doi:10.1073/pnas.1910411116

出版社：The National Academy of Sciences of the United States of America

文章 ID：243452507

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4.Accurate van der Waals coefficients from density functional theory

作　　者：Jianmin Tao ;John P. Perdew ;Adrienn Ruzsinszky

出　　处：Proceedings of the National Academy of Sciences. 2012 ;109(1):18-21.doi:10.1073/pnas.1118245108

出版社：The National Academy of Sciences of the United States of America

文章 ID：200540763

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5.Understanding band gaps of solids in generalized Kohn–Sham theory

作　　者：John P. Perdew ;Weitao Yang ;Kieron Burke 等

出　　处：Proceedings of the National Academy of Sciences. 2017 ;114(11):2801-2806.doi:10.1073/pnas.1621352114

出版社：The National Academy of Sciences of the United States of America

文章 ID：191704890

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6.Redox properties of birnessite from a defect perspective

作　　者：Haowei Peng ;Ian G. McKendry ;Ran Ding 等

出　　处：Proceedings of the National Academy of Sciences. 2017 ;114(36):9523-9528.doi:10.1073/pnas.1706836114

出版社：The National Academy of Sciences of the United States of America

文章 ID：201927443

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7.Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality

作　　者：Abhirup Patra ;Jefferson E. Bates ;Jianwei Sun 等

出　　处：Proceedings of the National Academy of Sciences. 2017 ;114(44):E9188-E9196.doi:10.1073/pnas.1713320114

出版社：The National Academy of Sciences of the United States of America

文章 ID：206856285

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8.Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn–Sham potential

作　　者：Egor Ospadov ;Jianmin Tao ;Viktor N. Staroverov 等

出　　处：Proceedings of the National Academy of Sciences. 2018 ;115(50):E11578-E11585.doi:10.1073/pnas.1814300115

出版社：The National Academy of Sciences of the United States of America

文章 ID：222233066

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9.Self-interaction error overbinds water clusters but cancels in structural energy differences

作　　者：Kamal Sharkas ;Kamal Wagle ;Biswajit Santra 等

出　　处：Proceedings of the National Academy of Sciences. 2020 ;117(21):11283-11288.doi:10.1073/pnas.1921258117

出版社：The National Academy of Sciences of the United States of America

文章 ID：260996236

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	有本地全文	8篇
	有全文链接	1篇

	Jianmin Tao	2篇
	Abhirup Patra	1篇
	Akila C. Thenuwara	1篇
	Andreas Görling	1篇
	Annabella Selloni	1篇
	Arun Bansil	1篇
	Bernardo Barbiellini	1篇
	Christopher Lane	1篇
	Daniel R. Strongin	1篇
	Eberhard K. U. Gross	1篇
	Egor Ospadov	1篇
	Egor Trushin	1篇
	Gustavo E. Scuseria	1篇
	Hsin-Yu Ko	1篇
	Ian G. McKendry	1篇
	Igor Ying Zhang	1篇
	James W. Furness	1篇
	Jefferson E. Bates	1篇
	Juan E. Peralta	1篇
	Kamal Sharkas	1篇
	Kamal Wagle	1篇
	Kieron Burke	1篇
	Koblar A. Jackson	1篇
	Marcos F. Calegari Andrade	1篇
	Matthias Scheffler	1篇
	Michael J. Zdilla	1篇
	Michael L. Klein	1篇
	Mohan Chen	1篇
	Qing Kang	1篇
	Rajendra R. Zope	1篇
	Ran Ding	1篇
	Richard C. Remsing	1篇
	Robert S. Markiewicz	1篇
	Roberto Car	1篇
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	John P. Perdew	9篇
	Jianwei Sun	4篇
	Adrienn Ruzsinszky	3篇
	Biswajit Santra	2篇
	Haowei Peng	2篇