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 |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| 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 |
| Vargas J, Ufondu P, Baruah T, et al. (2020) Importance of self-interaction-error removal in density functional calculations on water cluster anions. Physical Chemistry Chemical Physics : Pccp |
| Zope RR, Yamamoto Y, Diaz CM, et al. (2019) A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of Chemical Physics. 151: 214108 |
| Johnson AI, Withanage KPK, Sharkas K, et al. (2019) The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. The Journal of Chemical Physics. 151: 174106 |
| Yamamoto Y, Diaz CM, Basurto L, et al. (2019) Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional. The Journal of Chemical Physics. 151: 154105 |
| Shahi C, Bhattarai P, Wagle K, et al. (2019) Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics. 150: 174102 |
| Trepte K, Schwalbe S, Hahn T, et al. (2018) Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. Journal of Computational Chemistry |