Accurate and Numerically Efficient r2 SCAN Meta-Generalized Gradient Approximation JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun
The journal of physical chemistry letters 11 (19), 8208-8215, 2020
705 2020 r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications S Ehlert, U Huniar, J Ning, JW Furness, J Sun, AD Kaplan, JP Perdew, ...
The Journal of Chemical Physics 154 (6), 2021
118 2021 Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories JP Perdew, A Ruzsinszky, J Sun, NK Nepal, AD Kaplan
Proceedings of the National Academy of Sciences 118 (4), e2017850118, 2021
81 2021 Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: J Ning, M Kothakonda, JW Furness, AD Kaplan, S Ehlert, JG Brandenburg, ...
Physical Review B 106 (7), 075422, 2022
56 2022 The predictive power of exact constraints and appropriate norms in density functional theory AD Kaplan, M Levy, JP Perdew
Annual Review of Physical Chemistry 74 (1), 193-218, 2023
47 2023 Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun
The Journal of Chemical Physics 156 (3), 2022
45 2022 Testing the r2 SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction M Kothakonda, AD Kaplan, EB Isaacs, CJ Bartel, JW Furness, J Ning, ...
ACS Materials Au 3 (2), 102-111, 2022
31 2022 Laplacian-level meta-generalized gradient approximation for solid and liquid metals AD Kaplan, JP Perdew
Physical Review Materials 6 (8), 083803, 2022
26 2022 Understanding density-driven errors for reaction barrier heights AD Kaplan, C Shahi, P Bhetwal, RK Sah, JP Perdew
Journal of Chemical Theory and Computation 19 (2), 532-543, 2023
24 2023 Symmetry breaking with the SCAN density functional describes strong correlation in the singlet carbon dimer JP Perdew, STUR Chowdhury, C Shahi, AD Kaplan, D Song, EJ Bylaska
The Journal of Physical Chemistry A 127 (1), 384-389, 2022
18 2022 Collapse of the electron gas from three to two dimensions in Kohn-Sham density functional theory AD Kaplan, K Wagle, JP Perdew
Physical Review B 98 (8), 085147, 2018
18 2018 First-principles wave-vector-and frequency-dependent exchange-correlation kernel for jellium at all densities AD Kaplan, NK Nepal, A Ruzsinszky, P Ballone, JP Perdew
Physical Review B 105 (3), 035123, 2022
17 2022 Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory AD Kaplan, B Santra, P Bhattarai, K Wagle, P Bhetwal, J Yu, H Tang, ...
The Journal of chemical physics 153 (7), 2020
13 2020 Unconventional error cancellation explains the success of Hartree–Fock density functional theory for barrier heights B Kanungo, AD Kaplan, C Shahi, V Gavini, JP Perdew
The Journal of Physical Chemistry Letters 15 (1), 323-328, 2024
9 2024 CPT invariance in classical electrodynamics AD Kaplan, TD Tsankov
European Journal of Physics 38 (6), 065205, 2017
9 2017 Calculation and interpretation of classical turning surfaces in solids AD Kaplan, SJ Clark, K Burke, JP Perdew
npj Computational Materials 7 (1), 25, 2021
8 2021 Predicting the properties of NiO with density functional theory: Impact of exchange and correlation approximations and validation of the r2SCAN functional MJ DelloStritto, AD Kaplan, JP Perdew, ML Klein
APL Materials 11 (6), 2023
6 2023 Symmetry breaking and self-interaction correction in the chromium atom and dimer R Maniar, KPK Withanage, C Shahi, AD Kaplan, JP Perdew, ...
The Journal of Chemical Physics 160 (14), 2024
5 2024 Progress towards understanding ultranonlocality through the wave-vector and frequency dependence of approximate exchange-correlation kernels NK Nepal, AD Kaplan, JM Pitarke, A Ruzsinszky
Physical Review B 104 (12), 125112, 2021
5 2021 ST u AD Kaplan, B Santra, P Bhattarai, K Wagle
R. Chowdhury, P. Bhetwal, J. Yu, H. Tang, K. Burke, M. Levy, and JP Perdew …, 2020
4 2020