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 | 18 | 2022 |
Pressure-Dependent Magnetic Properties of Quasi-2D Cr2Si2Te6 and Mn3Si2Te6 R Olmos, PH Chang, P Mishra, RR Zope, T Baruah, Y Liu, C Petrovic, ... The Journal of Physical Chemistry C 127 (21), 10324-10331, 2023 | 11 | 2023 |
Study of self-interaction errors in density functional calculations of magnetic exchange coupling constants using three self-interaction correction methods P Mishra, Y Yamamoto, PH Chang, DB Nguyen, JE Peralta, T Baruah, ... The Journal of Physical Chemistry A 126 (12), 1923-1935, 2022 | 9 | 2022 |
How do self-interaction errors associated with stretched bonds affect barrier height predictions? PB Shukla, P Mishra, T Baruah, RR Zope, KA Jackson, JK Johnson The Journal of Physical Chemistry A 127 (7), 1750-1759, 2023 | 8 | 2023 |
Magnetic properties of CrX 3 (X= Cl, Br, I) monolayers in excited states P Mishra, T Baruah Journal of Materials Chemistry C 12 (14), 5213-5221, 2024 | | 2024 |
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants P Mishra, Y Yamamoto, PH Chang, D Nguyen, J Peralta, T Baruah, ... APS March Meeting Abstracts 2023, N17. 005, 2023 | | 2023 |
Barrier Heights of BH76 Database with PZ-SIC and Locally-scaled Self Interaction Correction Methods P Mishra, Y Yamamoto, K Jackson, T Baruah, R Zope APS March Meeting Abstracts 2021, R19. 006, 2021 | | 2021 |
Study of Barrier Heights and Magnetic Property Using Locally Scaled and Perdew-Zunger Self-Interaction Methods P Mishra The University of Texas at El Paso, 2021 | | 2021 |
The effect of removal of self-interaction error on the magnetic exchange couplings PH Chang, P Mishra, R Zope, T Baruah Bulletin of the American Physical Society 65, 2020 | | 2020 |
Fermi-Lowdin orbital self-interaction correction on magnetic properties of Cu (II)-acetate monohydrate P Mishra, Y Yamamoto, R Zope, T Baruah Bulletin of the American Physical Society 65, 2020 | | 2020 |
Study of D-Electron Systems With Fermi-Lowdin Orbital Selfinteraction Correction P Mishra The University of Texas at El Paso, 2019 | | 2019 |