E-LIB Suche - Ergebnisse für: Yamamoto, Yoh

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

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/..

3

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/..

4

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/..

5

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/..

6

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/..

7

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/..

8

Exploring and enhancing the accuracy of interior-scaled Per..:

Bhattarai, Puskar ; Santra, Biswajit ; Wagle, Kamal...
The Journal of Chemical Physics. 154 (2021) 9 - p. , 2021

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

9

Electronic structure of mononuclear Cu-based molecule from ..:

Karanovich, Anri ; Yamamoto, Yoh ; Jackson, Koblar Alan.
The Journal of Chemical Physics. 155 (2021) 1 - p. , 2021

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

10

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/..

11

Assessing the effect of regularization on the molecular pro..:

Yamamoto, Yoh ; Salcedo, Alan ; Diaz, Carlos M....
Physical Chemistry Chemical Physics. 22 (2020) 32 - p. 18060-18070 , 2020

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

12

A step in the direction of resolving the paradox of Perdew–..:

Bhattarai, Puskar ; Wagle, Kamal ; Shahi, Chandra...
The Journal of Chemical Physics. 152 (2020) 21 - p. , 2020

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

13

Importance of self-interaction-error removal in density fun..:

Vargas, Jorge ; Ufondu, Peter ; Baruah, Tunna...
Physical Chemistry Chemical Physics. 22 (2020) 7 - p. 3789-3799 , 2020

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

14

Zn(II)-Porphyrin–Squaraine Dyads as Potential Components fo..:

Borges-Martı́nez, Merlys ; Montenegro-Pohlhammer, Nicolás ; Yamamoto, Yoh..
The Journal of Physical Chemistry C. 124 (2020) 24 - p. 12968-12981 , 2020

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

15

Study of self-interaction errors in density functional pred..:

Akter, Sharmin ; Yamamoto, Yoh ; Diaz, Carlos M....
The Journal of Chemical Physics. 153 (2020) 16 - p. , 2020

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