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Baruah, Tunna
149
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Online (149)
Mediatypes
Articles (Online) (95)
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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
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/..
?
5
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/..
?
6
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/..
?
7
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/..
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8
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/..
?
9
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/..
?
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
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/..
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13
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/..
?
14
Self-interaction-corrected Kohn–Sham effective potentials u..:
Diaz, Carlos M.
;
Basurto, Luis
;
Adhikari, Santosh
...
The Journal of Chemical Physics. 155 (2021) 6 - p. , 2021
Link:
https://doi.org/10.1063/..
?
15
Implementation of Perdew–Zunger self-interaction correction..:
Diaz, Carlos M.
;
Suryanarayana, Phanish
;
Xu, Qimen
...
The Journal of Chemical Physics. 154 (2021) 8 - p. , 2021
Link:
https://doi.org/10.1063/..
1-15