Accurate van der Waals coefficients from density functional theory

Por Tao, Jianmin, Perdew, John P., Ruzsinszky, Adrienn
Publicado em 2012

Semilocal density functional obeying a strongly tightened bound for exchange

Por Sun, Jianwei, Perdew, John P., Ruzsinszky, Adrienn
Publicado no Proc Natl Acad Sci U S A (2015)

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

Por Patra, Abhirup, Bates, Jefferson E., Sun, Jianwei, Perdew, John P.
Publicado no Proc Natl Acad Sci U S A (2017)

Redox properties of birnessite from a defect perspective

Por Peng, Haowei, McKendry, Ian G., Ding, Ran, Thenuwara, Akila C., Kang, Qing, Shumlas, Samantha L., Strongin, Daniel R., Zdilla, Michael J., Perdew, John P.
Publicado no Proc Natl Acad Sci U S A (2017)

Ab initio theory and modeling of water

Por Chen, Mohan, Ko, Hsin-Yu, Remsing, Richard C., Calegari Andrade, Marcos F., Santra, Biswajit, Sun, Zhaoru, Selloni, Annabella, Car, Roberto, Klein, Michael L., Perdew, John P., Wu, Xifan
Publicado no Proc Natl Acad Sci U S A (2017)

Understanding band gaps of solids in generalized Kohn–Sham theory

Por 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
Publicado no Proc Natl Acad Sci U S A (2017)