| Self-interaction error overbinds water clusters but cancels in structural energy differences K Sharkas, K Wagle, B Santra, S Akter, RR Zope, T Baruah, KA Jackson, ... Proceedings of the National Academy of Sciences 117 (21), 11283-11288, 2020 | 80 | 2020 |
| 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 |
| Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled … S Akter, Y Yamamoto, CM Diaz, KA Jackson, RR Zope, T Baruah The Journal of Chemical Physics 153 (16), 2020 | 31 | 2020 |
| Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations S Akter, Y Yamamoto, RR Zope, T Baruah The Journal of Chemical Physics 154 (11), 2021 | 17 | 2021 |
| How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? S Akter, JA Vargas, K Sharkas, JE Peralta, KA Jackson, T Baruah, ... Physical Chemistry Chemical Physics 23 (34), 18678-18685, 2021 | 17 | 2021 |
| Highly conductive iodine and fluorine dual-doped argyrodite solid electrolyte for lithium metal batteries W Arnold, V Shreyas, S Akter, Y Li, S Halacoglu, MB Kalutara Koralalage, ... The Journal of Physical Chemistry C 127 (25), 11801-11809, 2023 | 15 | 2023 |
| Effect of F− doping on structural, elastic, and electronic properties of SmO1− xFxBiS2: A first principles investigation S Akter, SA Ramin, M Aftabuzzaman Physica B: Condensed Matter 685, 416030, 2024 | | 2024 |
| Effect of self-interaction correction on molecular polarizabilities and core ionization energies S Akter The University of Texas at El Paso, 2023 | | 2023 |
| Improving density functional calculations of molecular polarizabilities using locally scaled self-interaction corrections. K Sharkas, S Akter, J Vargas, J Peralta, K Jackson, T Baruah, R Zope APS March Meeting Abstracts 2021, X21. 009, 2021 | | 2021 |
| Fermi-Lowdin orbital self-interaction corrections applied to water clusters: Polarizabilities, dipole moments, and ionization energies S Akter, Y Yamamoto, R Zope, T Baruah Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters K Wagle, B Santra, K Sharkas, S Akter, R Zope, T Baruah, K Jackson, ... Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Ionization potentials and static dipole polarizabilities of polyacenes using Fermi-Lowdin self-interaction corrected density functional approximation S Akter, Y Yamamoto, L Basurto, T Baruah, R Zope APS March Meeting Abstracts 2019, H31. 005, 2019 | | 2019 |
| Self-interaction corrected dipole polarizabilites of free atoms and their ions K Withanage, S Akter, C Shahi, T Baruah, R Zope, J Perdew, J Peralta, ... APS March Meeting Abstracts 2019, H31. 010, 2019 | | 2019 |
| Self-Interaction Corrected Polarizabilities Of Small Molecules S Akter | | 2017 |
Rajendra ZopeDepartment of Physics, University of Texas at El PasoVerified email at utep.edu