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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| 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 |
| Romero S, Yamamoto Y, Baruah T, et al. (2021) Local self-interaction correction method with a simple scaling factor. Physical Chemistry Chemical Physics : Pccp. 23: 2406-2418 |
| Withanage KPK, Bhattarai P, Peralta JE, et al. (2021) Density-related properties from self-interaction corrected density functional theory calculations. The Journal of Chemical Physics. 154: 024102 |
| Akter S, Yamamoto Y, Diaz CM, et al. (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 self-interaction corrected methods. The Journal of Chemical Physics. 153: 164304 |
| Yamamoto Y, Salcedo A, Diaz CM, et al. (2020) Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA. Physical Chemistry Chemical Physics : Pccp |
| Sharkas K, Wagle K, Santra B, et al. (2020) Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America |
| Yamamoto Y, Romero S, Baruah T, et al. (2020) Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions. The Journal of Chemical Physics. 152: 174112 |