Semilocal density functional obeying a strongly tightened bound for exchange
Sun, Jianwei, Perdew, John P., Ruzsinszky, Adrienn
Published in Proceedings of the National Academy of Sciences - PNAS (20.01.2015)
Published in Proceedings of the National Academy of Sciences - PNAS (20.01.2015)
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Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
Peng, Haowei, Yang, Zeng-Hui, Perdew, John P., Sun, Jianwei
Published in Physical review. X (01.10.2016)
Published in Physical review. X (01.10.2016)
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Journal Article
Ab initio theory and modeling of water
Chen, Mohan, Ko, Hsin-Yu, Remsing, Richard C., Andrade, Marcos F. Calegari, Santra, Biswajit, Sun, Zhaoru, Selloni, Annabella, Car, Roberto, Klein, Michael L., Perdew, John P., Wu, Xifan
Published in Proceedings of the National Academy of Sciences - PNAS (10.10.2017)
Published in Proceedings of the National Academy of Sciences - PNAS (10.10.2017)
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Journal Article
Understanding band gaps of solids in generalized Kohn–Sham theory
Perdew, John P., Yang, Weitao, Burke, Kieron, Yang, Zenghui, Gross, Eberhard K. U., Scheffler, Matthias, Scuseria, Gustavo E., Henderson, Thomas M., Zhang, Igor Ying, Ruzsinszky, Adrienn, Peng, Haowei, Sun, Jianwei, Trushin, Egor, Görling, Andreas
Published in Proceedings of the National Academy of Sciences - PNAS (14.03.2017)
Published in Proceedings of the National Academy of Sciences - PNAS (14.03.2017)
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Journal Article
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
Sun, Jianwei, Haunschild, Robin, Xiao, Bing, Bulik, Ireneusz W, Scuseria, Gustavo E, Perdew, John P
Published in The Journal of chemical physics (28.01.2013)
Published in The Journal of chemical physics (28.01.2013)
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Journal Article
Anisotropic Conductivity at the Single‐Molecule Scale
Afsari, Sepideh, Yasini, Parisa, Peng, Haowei, Perdew, John P., Borguet, Eric
Published in Angewandte Chemie (International ed.) (01.10.2019)
Published in Angewandte Chemie (International ed.) (01.10.2019)
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Journal Article
van der Waals Correction to the Physisorption of Graphene on Metal Surfaces
Tang, Hong, Tao, Jianmin, Ruzsinszky, Adrienn, Perdew, John P
Published in Journal of physical chemistry. C (06.06.2019)
Published in Journal of physical chemistry. C (06.06.2019)
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Journal Article
Response to Comment on "Density functional theory is straying from the path toward the exact functional"
Medvedev, Michael G, Bushmarinov, Ivan S, Sun, Jianwei, Perdew, John P, Lyssenko, Konstantin A
Published in Science (American Association for the Advancement of Science) (05.05.2017)
Published in Science (American Association for the Advancement of Science) (05.05.2017)
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Journal Article
Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction
Attanayake, Nuwan H, Thenuwara, Akila C, Patra, Abhirup, Aulin, Yaroslav V, Tran, Thi M, Chakraborty, Himanshu, Borguet, Eric, Klein, Michael L, Perdew, John P, Strongin, Daniel R
Published in ACS energy letters (12.01.2018)
Published in ACS energy letters (12.01.2018)
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Journal Article
Gedanken densities and exact constraints in density functional theory
Perdew, John P, Ruzsinszky, Adrienn, Sun, Jianwei, Burke, Kieron
Published in The Journal of chemical physics (14.05.2014)
Published in The Journal of chemical physics (14.05.2014)
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Journal Article
Self-interaction correction in water-ion clusters
Wagle, Kamal, Santra, Biswajit, Bhattarai, Puskar, Shahi, Chandra, Pederson, Mark R, Jackson, Koblar A, Perdew, John P
Published in The Journal of chemical physics (07.03.2021)
Published in The Journal of chemical physics (07.03.2021)
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Journal Article
Accurate van der Waals coefficients from density functional theory
Tao, Jianmin, Perdew, John P, Ruzsinszky, Adrienn
Published in Proceedings of the National Academy of Sciences - PNAS (03.01.2012)
Published in Proceedings of the National Academy of Sciences - PNAS (03.01.2012)
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Journal Article
Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals
Ruzsinszky, Adrienn, Perdew, John P, Csonka, Gábor I, Vydrov, Oleg A, Scuseria, Gustavo E
Published in The Journal of chemical physics (21.11.2006)
Published in The Journal of chemical physics (21.11.2006)
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