| Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional C Shahi, J Sun, JP Perdew Physical Review B 97 (9), 094111, 2018 | 74 | 2018 |
| Stretched or noded orbital densities and self-interaction correction in density functional theory C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ... The Journal of Chemical Physics 150 (17), 174102, 2019 | 67 | 2019 |
| Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures J Tao, JP Perdew, H Tang, C Shahi The Journal of Chemical Physics 148 (7), 2018 | 63 | 2018 |
| How good is the density-corrected SCAN functional for neutral and ionic aqueous systems, and what is so right about the Hartree–Fock density? S Dasgupta, C Shahi, P Bhetwal, JP Perdew, F Paesani Journal of Chemical Theory and Computation 18 (8), 4745-4761, 2022 | 41 | 2022 |
| Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction KPK Withanage, S Akter, C Shahi, RP Joshi, C Diaz, Y Yamamoto, ... Physical Review A 100 (1), 012505, 2019 | 41 | 2019 |
| A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation P Bhattarai, K Wagle, C Shahi, Y Yamamoto, S Romero, B Santra, ... The Journal of Chemical Physics 152 (21), 2020 | 37 | 2020 |
| Self-interaction correction in water–ion clusters K Wagle, B Santra, P Bhattarai, C Shahi, MR Pederson, KA Jackson, ... The Journal of Chemical Physics 154 (9), 2021 | 31 | 2021 |
| How accurate are the parametrized correlation energies of the uniform electron gas? P Bhattarai, A Patra, C Shahi, JP Perdew Physical Review B 97 (19), 195128, 2018 | 27 | 2018 |
| 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 | 26 | 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 |
| 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 | 11 | 2024 |
| 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 |
| How does HF-DFT achieve chemical accuracy for water clusters? AD Kaplan, C Shahi, RK Sah, P Bhetwal, B Kanungo, V Gavini, ... Journal of Chemical Theory and Computation 20 (13), 5517-5527, 2024 | 3 | 2024 |
| Effect of strain on the band gap of monolayer RK Sah, H Tang, C Shahi, A Ruzsinszky, JP Perdew Physical Review B 110 (14), 144109, 2024 | 1 | 2024 |
| Assessment of the Meta-GGA Scan and Self-Interaction Corrected Scan Density Functional C Shahi Temple University, 2019 | 1 | 2019 |
| Vertical Ionization Energies, Generalized Kohn–Sham Orbital Energies, and the Curious Case of the Copper Oxide Anions C Shahi, R Maniar, J Ning, GI Csonka, JP Perdew, A Ruzsinszky The Journal of Physical Chemistry A 128 (40), 8628-8634, 2024 | | 2024 |
| Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights JP Perdew, B Kanungo, A Kaplan, C Shahi, V Gavini Bulletin of the American Physical Society, 2024 | | 2024 |
| Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer JP Perdew, ST Chowdhury, C Shahi, AD Kaplan, D Song, EJ Bylaska The Journal of Physical Chemistry A 127 (1), 2023 | | 2023 |
| Revisiting the density-corrected SCAN calculations for neutral and aqueous systems C Shahi, A Kaplan, JP Perdew APS March Meeting Abstracts 2023, N17. 008, 2023 | | 2023 |
| Understanding density driven errors via reaction barrier heights R Sah, A Kaplan, C Shahi, P Bhetwal, JP Perdew APS March Meeting Abstracts 2023, N17. 012, 2023 | | 2023 |
John P. PerdewTemple UniversityVerified email at temple.edu
