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), 2019 | 65 | 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 | 35 | 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 | 28 | 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 | 26 | 2018 |
Modeling the physisorption of graphene on metals J Tao, H Tang, A Patra, P Bhattarai, JP Perdew Physical Review B 97 (16), 165403, 2018 | 20 | 2018 |
The Fermi–Löwdin self-interaction correction for ionization energies of organic molecules S Adhikari, B Santra, S Ruan, P Bhattarai, NK Nepal, KA Jackson, ... The Journal of Chemical Physics 153 (18), 2020 | 17 | 2020 |
Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction P Bhattarai, B Santra, K Wagle, Y Yamamoto, RR Zope, A Ruzsinszky, ... The Journal of Chemical Physics 154 (9), 2021 | 15 | 2021 |
Density-related properties from self-interaction corrected density functional theory calculations KPK Withanage, P Bhattarai, JE Peralta, RR Zope, T Baruah, JP Perdew, ... The Journal of Chemical Physics 154 (2), 2021 | 13 | 2021 |
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 |
Normal-state and superconducting properties of Co-doped BaFe2As2 and MgB2 thin films after focused helium ion beam irradiation L Kasaei, V Manichev, M Li, LC Feldman, T Gustafsson, Y Collantes, ... Superconductor Science and Technology 32 (9), 095009, 2019 | 11 | 2019 |
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 |
Predicting cognitive dysfunction and regional hubs using Braak staging amyloid-beta biomarkers and machine learning P Bhattarai, A Taha, B Soni, DS Thakuri, E Ritter, GB Chand Brain Informatics 10 (1), 33, 2023 | 3 | 2023 |
Dysregulated salience network control over default-mode and central-executive networks in schizophrenia revealed using stochastic dynamical causal modeling DS Thakuri, P Bhattarai, DF Wong, GB Chand Brain connectivity 14 (1), 70-79, 2024 | 1 | 2024 |
Enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction P Bhattarai, B Santra, K Wagle, Y Yamamoto, R Zope, K Jackson, ... APS March Meeting Abstracts 2021, C19. 007, 2021 | 1 | 2021 |
Explainable AI-based Deep-SHAP for mapping the multivariate relationships between regional neuroimaging biomarkers and cognition P Bhattarai, DS Thakuri, Y Nie, GB Chand European Journal of Radiology 174, 111403, 2024 | | 2024 |
Lobedness, complex orbitals, and the self-interaction energies of multiple bonds P Bhattarai, K Withanage, J Peralta, M Pederson, K Jackson, J Perdew APS March Meeting Abstracts 2022, F01. 006, 2022 | | 2022 |
Assessment of the scaled Perdew-Zunger self-interaction correction applied to three levels of density functional approximations P Bhattarai Temple University, 2021 | | 2021 |
Perdew-Zunger Self-Interaction Correction in Ion-Water Clusters K Wagle, B Santra, P Bhattarai, C Shahi, J Perdew APS March Meeting Abstracts 2021, Y21. 012, 2021 | | 2021 |
Scaling down the Perdew-Zunger self-interaction correction to the first three rungs of the ladder of density functional approximations B Santra, P Bhattarai, K Wagle, C Shahi, Y Yamamoto, S Romero, R Zope, ... APS March Meeting Abstracts 2021, X21. 015, 2021 | | 2021 |
Performance of scaled self-interaction correction to semilocal functionals P Bhattarai, C Shahi, K Wagle, B Santra, J Perdew Bulletin of the American Physical Society 65, 2020 | | 2020 |