Tunna Baruah
Affiliations: | Computational Science | University of Texas at El Paso, El Paso, TX, United States |
Area:
Molecular Physics, Computer ScienceGoogle:
"Tunna Baruah"Children
Sign in to add trainee| Luis Basurto | grad student | 2013 | UT El Paso |
| Marco A. Olguin | grad student | 2013 | UT El Paso |
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Publications
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| Zope RR, Yamamoto Y, Baruah T. (2024) How well do one-electron self-interaction-correction methods perform for systems with fractional electrons? The Journal of Chemical Physics. 160 |
| Pederson MR, Withanage KPK, Hooshmand Z, et al. (2023) Use of FLOSIC for understanding anion-solvent interactions. The Journal of Chemical Physics. 159 |
| Ufondu P, Chang PH, Baruah T, et al. (2023) Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods. The Journal of Chemical Physics. 158 |
| Yamamoto Y, Baruah T, Chang PH, et al. (2023) Self-consistent implementation of locally scaled self-interaction-correction method. The Journal of Chemical Physics. 158: 064114 |
| Romero S, Baruah T, Zope RR. (2023) Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study. The Journal of Chemical Physics. 158: 054305 |
| Mishra P, Yamamoto Y, Chang PH, et al. (2022) Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods. The Journal of Physical Chemistry. A |
| Akter S, Vargas JA, Sharkas K, et al. (2021) How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? Physical Chemistry Chemical Physics : Pccp. 23: 18678-18685 |
| Diaz CM, Basurto L, Adhikari S, et al. (2021) Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method. The Journal of Chemical Physics. 155: 064109 |
| Akter S, Yamamoto Y, Zope RR, et al. (2021) Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations. The Journal of Chemical Physics. 154: 114305 |
| Diaz CM, Suryanarayana P, Xu Q, et al. (2021) Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals. The Journal of Chemical Physics. 154: 084112 |