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 | 33 | 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 | 17 | 2023 |
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 | 10 | 2020 |
How does HF-DFT achieve chemical accuracy for water clusters? A Kaplan, C Shahi, R Sah, P Bhetwal, B Kanungo, V Gavini, J Perdew | | 2024 |
Investigating the Density-Corrected Scan Using Water Clusters and Chemical Reaction Barrier Heights P Bhetwal Temple University, 2023 | | 2023 |
Density corrected SCAN functional in water clusters P Bhetwal, S Dasgupta, C Shahi, J Perdew, F Paesani APS March Meeting Abstracts 2023, N17. 004, 2023 | | 2023 |
Quasiparticle energies of the uniform electron gas P Bhetwal, A Ponento, A Trackman, J Perdew Bulletin of the American Physical Society 65, 2020 | | 2020 |