A.D. Kaplan, K. Burke, S.J. Clark, and J.P. Perdew, Calculation and Interpretation of Classical Turning Surfaces in Solids, npj Computational Materials 7, 25 (2021).
A.D. Kaplan, B. Santra, P. Bhattarai, K. Wagle, S.T.u.R, Chowdhury, P. Bhetwal, J. Yu, H. Tang, M. Levy, and J.P. Perdew, Simple Hydrogenic Estimates for the Exchange and Correlation Energies of Atoms and Atomic Ions, with Implications for Density Functional Theory, Journal of Chemical Physics.153, 074117 (2020).
A. Ruzsinszky, N.K. Nepal, J.M. Pitarke, and J.P. Perdew, Constraint-based Wavevector- and Frequency-dependent Exchange-Correlation Kernel of the Uniform Electron Gas, Physical Review B 101, 245135 (2020).
J.P. Perdew. A. Ruzsinszky, J. Sun, N.K. Nepal, and A.D. Kaplan, Interpretations of Ground-State Symmetry Breaking and Strong Correlation in Wavefunction and Density Functional Theories, Proceedings of the National Academy of Sciences USA 118, e2017850118 (2021).
J.W. Furness, A.D. Kaplan, J. Ning, J.P. Perdew, and J. Sun, Accurate and Numerically Efficient r2SCAN Meta- Generalized Gradient Approximation, Journal of Physical Chemistry Letters 11, 8208 (2020); erratum ibid. 11, 9248 (2020).
K.P.K. Withanage, P. Bhattarai, J.E. Peralta, T. Barruah, R.R. Zope, J.P. Perdew, and K.A. Jackson. Density-Related Properties from Locally-Scaled Self-Interaction Corrected Density Functional Theory Calculations, Journal of Chemical Physics 154, 024102 (2021).
P. Bhattarai, B. Santra, K. Wagle, Y. Yamamoto, R.R. Zope, A. Ruzsinszky, K.A. Jackson, and J.P. Perdew, Exploring and Enhancing the Accuracy of Interior-Scaled Perdew-Zunger Self-Interaction Correction, Journal of Chemical Physics 154, 094105 (2021).
K. Wagle, B. Santra, P. Bhattarai, C. Shahi, M.R. Pederson, K.A. Jackson, and J.P. Perdew, Self-Interaction in Ion-Water Clusters, Journal of Chemical Physics 154, 094302 (2021).
S.T.u.R. Chowdhury, H. Tang, and J.P. Perdew, Van der Waals Corrected Density Functionals for Cylindrical Surfaces: Ammonia and Nitrogen Dioxide Adsorbed on a Single-Walled Carbon Nanotube, Physical Review B 103, 195610 (2021).
S. Ehlert, U. Huniar, J. Ning. J.W. Furness, J. Sun, A.D. Kaplan, J.P. Perdew, and J.G.Brandenburg, r2SCAN-D4: Dispersion Corrected Meta-Generalized Gradient Approximation for General Chemical Applications, Journal of Chemical Physics 154, 061101 (2021).