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The Journal of Chemical Physics|April 8, 2025
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi-Löwdin self-interaction correction calculationsDuyen B Nguyen, Carlos Cárdenas, Jerónimo Lira, et al.Journal of Chemical Theory and Computation|June 28, 2024
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?Aaron D Kaplan, Chandra Shahi, Raj K Sah, et al.The Journal of Chemical Physics|March 9, 2021
Self-interaction correction in water-ion clustersKamal Wagle, Biswajit Santra, Puskar Bhattarai, et al.Journal of Immunology (Baltimore, Md. : 1950)|July 29, 2022
Cutting Edge: Promoting T Cell Factor 1+ T Cell Self-Renewal to Improve Programmed Cell Death Protein 1 BlockadePeter H Wang, Robert Washburn, Rohan Maniar, et al.Journal of Chemical Theory and Computation|November 22, 2015
Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent InteractionsPan Hao, Jianwei Sun, Bing Xiao, et al.The Journal of Physical Chemistry. A|December 27, 2022
Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon DimerJohn P Perdew, Shah Tanvir Ur Rahman Chowdhury, Chandra Shahi, et al.The Journal of Chemical Physics|April 9, 2022
Fermi-Löwdin orbital self-interaction correction of adsorption energies on transition metal ionsKushantha P K Withanage, Kamal Sharkas, J Karl Johnson, et al.The Journal of Chemical Physics|February 11, 2024
Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6Jinliang Ning, Christopher Lane, Bernardo Barbiellini, et al.The Journal of Chemical Physics|March 9, 2021
Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correctionPuskar Bhattarai, Biswajit Santra, Kamal Wagle, et al.Proceedings of the National Academy of Sciences of the United States of America|December 18, 2019
Competing stripe and magnetic phases in the cuprates from first principlesYubo Zhang, Christopher Lane, James W Furness, et al.Pageof 12