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The last 5 uploaded publications
Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters
Kamal Wagle, Biswajit Santra, Kamal Sharkas, Sharmin Akter, Rajendra R. Zope, Tunna Baruah, Koblar Alan Jackson, Juan E. Peralta, John P Perdew (2020). Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters.
Article36 days agoPerdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters
Kamal Wagle, Biswajit Santra, Kamal Sharkas, Sharmin Akter, Rajendra R. Zope, Tunna Baruah, Koblar Alan Jackson, Juan E. Peralta, John P Perdew (2020). Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters.
Article36 days agoSelf-interaction error overbinds water clusters but cancels in structural energy differences
Kamal Sharkas, Kamal Wagle, Biswajit Santra, Sharmin Akter, Rajendra R. Zope, Tunna Baruah, Koblar Alan Jackson, John P Perdew, Juan E. Peralta (2020). Self-interaction error overbinds water clusters but cancels in structural energy differences. , 117(21), DOI: https://doi.org/10.1073/pnas.1921258117.
Article36 days agoEnhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction
Puskar Bhattarai, Biswajit Santra, Kamal Wagle, Yoh Yamamoto, Rajendra R. Zope, Koblar Jackson, John P Perdew (2021). Enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction.
Article36 days agoThe Quasi-2D Electron Gas and Density Functional Theory: Finding a Finite Limit
Aaron D. Kaplan, Kamal Wagle, John P Perdew (2019). The Quasi-2D Electron Gas and Density Functional Theory: Finding a Finite Limit. , 2019
Article36 days ago