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Puskar Bhattarai
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Anno
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
662019
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
342020
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
272021
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
262018
Modeling the physisorption of graphene on metals
J Tao, H Tang, A Patra, P Bhattarai, JP Perdew
Physical Review B 97 (16), 165403, 2018
202018
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
172020
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
152021
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
132021
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
102020
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
102019
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
62020
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
22023
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
12021
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
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
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
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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