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The Journal of Chemical Physics|July 7, 2007
Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correctionGábor I Csonka, Oleg A Vydrov, Gustavo E Scuseria, et al.Science (New York, N.Y.)|January 7, 2017
Density functional theory is straying from the path toward the exact functionalMichael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.The Journal of Chemical Physics|March 11, 2006
Scaling down the Perdew-Zunger self-interaction correction in many-electron regionsOleg A Vydrov, Gustavo E Scuseria, John P Perdew, et al.The Journal of Chemical Physics|November 30, 2006
Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionalsAdrienn Ruzsinszky, John P Perdew, Gábor I Csonka, et al.The Journal of Chemical Physics|February 13, 2026
Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexesNiraj Pangeni, Chandra Shahi, John P Perdew, et al.The Journal of Chemical Physics|February 8, 2013
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependenceJianwei Sun, Robin Haunschild, Bing Xiao, et al.Physical Review Letters|February 1, 2008
High-level correlated approach to the jellium surface energy, without uniform-gas inputLucian A Constantin, J M Pitarke, J F Dobson, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 4, 2012
Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclustersJohn P Perdew, Jianmin Tao, Pan Hao, et al.Journal for Immunotherapy of Cancer|November 18, 2020
Case of Merkel cell carcinoma in a patient with pre-existing ILDRohan Maniar, Michaela Anderson, Bret Taback, et al.The Journal of Chemical Physics|August 27, 2005
Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fitsJohn P Perdew, Adrienn Ruzsinszky, Jianmin Tao, et al.Pageof 12