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The last 5 uploaded publications
Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes
Henry C. Fitzhugh, James W. Furness, Mark R. Pederson, Juan E. Peralta, Jianwei Sun (2023). Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes. , 19(17), DOI: https://doi.org/10.1021/acs.jctc.3c00336.
Article71 days agoParadox of Self-Interaction Correction
John P Perdew, Adrienn Ruzsinszky, Jianwei Sun, Mark R. Pederson (2015). Paradox of Self-Interaction CorrectionDOI: https://doi.org/10.1016/bs.aamop.2015.06.004,
Chapter in a book71 days agoUnitarily Invariant Self-Interaction Corrections to the Uniform Electron Gas
Mark R. Pederson, Jianwei Sun (2015). Unitarily Invariant Self-Interaction Corrections to the Uniform Electron Gas. , 2015
Article71 days agoSymmetry breaking and self-interaction correction in the chromium atom and dimer
Rohan Maniar, Kushantha P. K. Withanage, Chandra Shahi, Aaron D. Kaplan, John P Perdew, Mark R. Pederson (2024). Symmetry breaking and self-interaction correction in the chromium atom and dimer. , 160(14), DOI: https://doi.org/10.1063/5.0180863.
Article71 days agoSelf Interaction Corrected Density Functional Theory with Unitary Invariance: Applications to Molecules
Mark R. Pederson, Adrienn Ruzsinszky, John P Perdew (2014). Self Interaction Corrected Density Functional Theory with Unitary Invariance: Applications to Molecules. , DOI: https://doi.org/10.48550/arxiv.1401.6650.
Preprint71 days ago