| Franck–Condon blockade in a single-molecule transistor E Burzurí, Y Yamamoto, M Warnock, X Zhong, K Park, A Cornia, ... Nano letters 14 (6), 3191-3196, 2014 | 121 | 2014 |
| A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction RR Zope, Y Yamamoto, CM Diaz, T Baruah, JE Peralta, KA Jackson, ... The Journal of Chemical Physics 151 (21), 2019 | 76 | 2019 |
| 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 | 66 | 2019 |
| Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional Y Yamamoto, CM Diaz, L Basurto, KA Jackson, T Baruah, RR Zope The Journal of chemical physics 151 (15), 2019 | 56 | 2019 |
| The effect of self-interaction error on electrostatic dipoles calculated using density functional theory AI Johnson, KPK Withanage, K Sharkas, Y Yamamoto, T Baruah, ... The Journal of chemical physics 151 (17), 2019 | 44 | 2019 |
| Importance of self-interaction-error removal in density functional calculations on water cluster anions J Vargas, P Ufondu, T Baruah, Y Yamamoto, KA Jackson, RR Zope Physical Chemistry Chemical Physics 22 (7), 3789-3799, 2020 | 43 | 2020 |
| Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings RP Joshi, K Trepte, KPK Withanage, K Sharkas, Y Yamamoto, L Basurto, ... The Journal of Chemical Physics 149 (16), 2018 | 43 | 2018 |
| 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 |
| 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 | 34 | 2020 |
| Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions Y Yamamoto, S Romero, T Baruah, RR Zope The Journal of Chemical Physics 152 (17), 2020 | 33 | 2020 |
| 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 | 30 | 2020 |
| Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction K Trepte, S Schwalbe, T Hahn, J Kortus, DY Kao, Y Yamamoto, T Baruah, ... Journal of Computational Chemistry 40 (6), 820-825, 2019 | 27 | 2019 |
| Local self-interaction correction method with a simple scaling factor S Romero, Y Yamamoto, T Baruah, RR Zope Physical Chemistry Chemical Physics 23 (3), 2406-2418, 2021 | 19 | 2021 |
| Study of self-interaction-errors in barrier heights using locally scaled and Perdew–Zunger self-interaction methods P Mishra, Y Yamamoto, JK Johnson, KA Jackson, RR Zope, T Baruah The Journal of Chemical Physics 156 (1), 2022 | 17 | 2022 |
| 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 |
| Electron-vibron coupling effects on electron transport via a single-molecule magnet A McCaskey, Y Yamamoto, M Warnock, E Burzurí, HSJ van der Zant, ... Physical Review B 91 (12), 125419, 2015 | 17 | 2015 |
| 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 |
| Electronic structure of mononuclear Cu-based molecule from density-functional theory with self-interaction correction A Karanovich, Y Yamamoto, KA Jackson, K Park The Journal of Chemical Physics 155 (1), 2021 | 13 | 2021 |
| Zn (II)-Porphyrin–Squaraine Dyads as Potential Components for Dye-Sensitized Solar Cells: A Quantum Chemical Study of Optical and Charge Transport Properties M Borges-Martı́nez, N Montenegro-Pohlhammer, Y Yamamoto, T Baruah, ... The Journal of Physical Chemistry C 124 (24), 12968-12981, 2020 | 10 | 2020 |
| Self-consistent implementation of locally scaled self-interaction-correction method Y Yamamoto, T Baruah, PH Chang, S Romero, RR Zope The Journal of Chemical Physics 158 (6), 2023 | 9 | 2023 |
Rajendra ZopeDepartment of Physics, University of Texas at El PasoDirección de correo verificada de utep.edu
