E-LIB Suche - Ergebnisse für: Baruah, Tunna

1

How well do one-electron self-interaction-correction method..:

Zope, Rajendra R. ; Yamamoto, Yoh ; Baruah, Tunna
The Journal of Chemical Physics. 160 (2024) 8 - p. , 2024

Link: https://doi.org/10.1063/..

2

Magnetic properties of CrX3 (X = Cl, Br, I) monolayers in e..:

Mishra, Prakash ; Baruah, Tunna
Journal of Materials Chemistry C. 12 (2024) 14 - p. 5213-5221 , 2024

Link: https://doi.org/10.1039/..

3

Downward quantum learning from element 118: Automated gener..:

Pederson, Mark R. ; Johnson, Alexander I. ; Withanage, Kushantha P. K....
The Journal of Chemical Physics. 158 (2023) 8 - p. , 2023

Link: https://doi.org/10.1063/..

4

Pressure-Dependent Magnetic Properties of Quasi-2D Cr2Si2Te..:

Olmos, Rubyann ; Chang, Po-Hao ; Mishra, Prakash...
The Journal of Physical Chemistry C. 127 (2023) 21 - p. 10324-10331 , 2023

Link: https://doi.org/10.1021/..

5

Self-consistent implementation of locally scaled self-inter..:

Yamamoto, Yoh ; Baruah, Tunna ; Chang, Po-Hao..
The Journal of Chemical Physics. 158 (2023) 6 - p. , 2023

Link: https://doi.org/10.1063/..

6

Vertical detachment energies of ammonia cluster anions usin..:

Ufondu, Peter ; Chang, Po-Hao ; Baruah, Tunna.
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023

Link: https://doi.org/10.1063/..

7

Use of FLOSIC for understanding anion-solvent interactions:

Pederson, Mark R. ; Withanage, Kushantha P. K. ; Hooshmand, Zahra...
The Journal of Chemical Physics. 159 (2023) 15 - p. , 2023

Link: https://doi.org/10.1063/..

8

How Do Self-Interaction Errors Associated with Stretched Bo..:

Shukla, Priyanka B. ; Mishra, Prakash ; Baruah, Tunna...
The Journal of Physical Chemistry A. 127 (2023) 7 - p. 1750-1759 , 2023

Link: https://doi.org/10.1021/..

9

Spin-state gaps and self-interaction-corrected density func..:

Romero, Selim ; Baruah, Tunna ; Zope, Rajendra R.
The Journal of Chemical Physics. 158 (2023) 5 - p. , 2023

Link: https://doi.org/10.1063/..

10

Study of self-interaction-errors in barrier heights using l..:

Mishra, Prakash ; Yamamoto, Yoh ; Johnson, J. Karl...
The Journal of Chemical Physics. 156 (2022) 1 - p. , 2022

Link: https://doi.org/10.1063/..

11

Study of Self-Interaction Errors in Density Functional Calc..:

Mishra, Prakash ; Yamamoto, Yoh ; Chang, Po-Hao...
The Journal of Physical Chemistry A. 126 (2022) 12 - p. 1923-1935 , 2022

Link: https://doi.org/10.1021/..

12

Fermi-Löwdin-orbital self-interaction correction using the ..:

Diaz, Carlos M. ; Baruah, Tunna ; Zope, Rajendra R.
Physical Review A. 103 (2021) 4 - p. , 2021

Link: https://doi.org/10.1103/..

13

Static dipole polarizabilities of polyacenes using self-int..:

Akter, Sharmin ; Yamamoto, Yoh ; Zope, Rajendra R..
The Journal of Chemical Physics. 154 (2021) 11 - p. , 2021

Link: https://doi.org/10.1063/..

14

How well do self-interaction corrections repair the overest..:

Akter, Sharmin ; Vargas, Jorge A. ; Sharkas, Kamal...
Physical Chemistry Chemical Physics. 23 (2021) 34 - p. 18678-18685 , 2021

Link: https://doi.org/10.1039/..

15

Local self-interaction correction method with a simple scal..:

Romero, Selim ; Yamamoto, Yoh ; Baruah, Tunna.
Physical Chemistry Chemical Physics. 23 (2021) 3 - p. 2406-2418 , 2021

Link: https://doi.org/10.1039/..