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Journal of Chemical Theory and Computation|January 4, 2023
Understanding Density-Driven Errors for Reaction Barrier HeightsAaron D Kaplan, Chandra Shahi, Pradeep Bhetwal, et al.The Journal of Physical Chemistry Letters|September 3, 2020
Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient ApproximationJames W Furness, Aaron D Kaplan, Jinliang Ning, et al.Journal of Chemical Theory and Computation|November 27, 2015
Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the PerplexedJohn P Perdew, Adrienn Ruzsinszky, Lucian A Constantin, et al.The Journal of Chemical Physics|January 23, 2022
Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionalsJames W Furness, Aaron D Kaplan, Jinliang Ning, et al.Journal of the American Chemical Society|June 28, 2019
Potential-Induced High-Conductance Transport Pathways through Single-Molecule JunctionsParisa Yasini, Sepideh Afsari, Haowei Peng, et al.The Journal of Chemical Physics|May 16, 2012
Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: implementation via local hybrids and thermochemical assessmentRobin Haunschild, Mariana M Odashima, Gustavo E Scuseria, et al.Journal of the National Comprehensive Cancer Network : JNCCN|February 9, 2023
Unusual Adverse Events in a Patient With BRAF-Mutated Non-Small Cell Lung Cancer Treated With BRAF/MEK InhibitionRohan Maniar, Stephanie M Gallitano, Sameera Husain, et al.The Journal of Chemical Physics|January 17, 2015
Van der Waals coefficients beyond the classical shell modelJianmin Tao, Yuan Fang, Pan Hao, et al.The Journal of Chemical Physics|March 17, 2007
Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+Adrienn Ruzsinszky, John P Perdew, Gábor I Csonka, et al.Science (New York, N.Y.)|May 6, 2017
Response to Comment on "Density functional theory is straying from the path toward the exact functional"Michael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.Pageof 12