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Prakash Mishra
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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
172022
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
82022
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
62023
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
52023
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
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Articles 1–11