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T

Tunna Baruah

university of texas at el paso

31H-index
220Paper Count
2.8KCitation Count
Published Papers 64
Publication Date
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Polarizability of Polymers Using One-Electron Self-Interaction-Corrected Density Functional Methods
errThe Journal of Physical Chemistry A
IF2.8
err2025-12-11
err0
PREAI
errPrakash Mishra; Yoh Yamamoto; Peter Ufondu; Tunna Baruah; Rajendra R. Zope
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Electronic structure simulations in the cloud computing environment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-21
err1
errOAAI
errBylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol
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How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-22
err1
errOAAI
errZope, Rajendra R.; Yamamoto, Yoh; Baruah, Tunna
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Magnetic properties of CrX3 (X = Cl, Br, I) monolayers in excited states
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err1
PREAI
errMishra, Prakash; Baruah, Tunna
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Use of FLOSIC for understanding anion-solvent interactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-20
err6
errOAAI
errPederson, Mark R.; Withanage, Kushantha P. K.; Hooshmand, Zahra; Johnson, Alex I.; Baruah, Tunna; Yamamoto, Yoh; Zope, Rajendra R.; Kao, Der-You; Shukla, Priyanka B.; Johnson, J. Karl; Peralta, Juan E.; Jackson, Koblar A.
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Pressure-Dependent Magnetic Properties of Quasi-2D Cr2Si2Te6 and Mn3Si2Te6
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-05-22
err11
errOAAI
errOlmos, Rubyann; Chang, Po-Hao; Mishra, Prakash; Zope, Rajendra R.; Baruah, Tunna; Liu, Yu; Petrovic, Cedomir; Singamaneni, Srinivasa R.
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Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-25
err4
errOAAI
errUfondu, Peter; Chang, Po-Hao; Baruah, Tunna; Zope, Rajendra R.
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Downward quantum learning from element 118: Automated generation of Fermi-Lowdin orbitals for all atoms
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-22
err6
errOAAI
errPederson, Mark R.; Johnson, Alexander I.; Withanage, Kushantha P. K.; Dolma, Sherab; Flores, Gustavo Bravo; Hooshmand, Zahra; Khandal, Kusal; Lasode, Peter O.; Baruah, Tunna; Jackson, Koblar A.
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Self-consistent implementation of locally scaled self-interaction-correction method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-13
err7
errOAAI
errYamamoto, Yoh; Baruah, Tunna; Chang, Po-Hao; Romero, Selim; Zope, Rajendra R.
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Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-06
err10
errOAAI
errRomero, Selim; Baruah, Tunna; Zope, Rajendra R. R.
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errSave
Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-06
err17
errOAAI
errMishra, Prakash; Yamamoto, Yoh; Johnson, J. Karl; Jackson, Koblar A.; Zope, Rajendra R.; Baruah, Tunna
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errSave
Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-13
err10
errOAAI
errDiaz, Carlos M.; Basurto, Luis; Adhikari, Santosh; Yamamoto, Yoh; Ruzsinszky, Adrienn; Baruah, Tunna; Zope, Rajendra R.
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errSave
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-19
err16
errOAAI
errAkter, Sharmin; Yamamoto, Yoh; Zope, Rajendra R.; Baruah, Tunna
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errSave
Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Lowdin orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-23
err12
errOAAI
errDiaz, Carlos M.; Suryanarayana, Phanish; Xu, Qimen; Baruah, Tunna; Pask, John E.; Zope, Rajendra R.
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errSave
Density-related properties from self-interaction corrected density functional theory calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-08
err12
errOAAI
errWithanage, Kushantha P. K.; Bhattarai, Puskar; Peralta, Juan E.; Zope, Rajendra R.; Baruah, Tunna; Perdew, John P.; Jackson, Koblar A.
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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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-22
err27
errOAAI
errAkter, Sharmin; Yamamoto, Yoh; Diaz, Carlos M.; Jackson, Koblar A.; Zope, Rajendra R.; Baruah, Tunna
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Zn(II)-Porphyrin-Squaraine Dyads as Potential Components for Dye-Sensitized Solar Cells: A Quantum Chemical Study of Optical and Charge Transport Properties
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-05-22
err12
PREAI
errBorges-Martinez, Merlys; Montenegro-Pohlhammer, Nicolas; Yamamoto, Yoh; Baruah, Tunna; Cardenas-Jiron, Gloria
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Self-interaction error overbinds water clusters but cancels in structural energy differences
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2020-05-11
err74
errOAAI
errSharkasa, Kamal; Wagle, Kamal; Santra, Biswajit; Akter, Sharmin; Zope, Rajendra R.; Baruah, Tunna; Jackson, Koblar A.; Perdew, John P.; Peralta, Juan E.
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Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-06
err30
errOAAI
errYamamoto, Yoh; Romero, Selim; Baruah, Tunna; Zope, Rajendra R.
errShare
errSave
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-05
err79
errOAAI
errZope, Rajendra R.; Yamamoto, Yoh; Diaz, Carlos M.; Baruah, Tunna; Peralta, Juan E.; Jackson, Koblar A.; Santra, Biswajit; Perdew, John P.
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errSave

Research Directions

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Co-authors
Cooperation Journals
J
John P. Perdew
H-index: 113 · Papers: 552
T
Thuc‐Quyen Nguyen
H-index: 96 · Papers: 430
J
John E. Anthony
H-index: 90 · Papers: 692
M
Michael L. Chabinyc
H-index: 77 · Papers: 386
J
J. J. Rehr
H-index: 73 · Papers: 581
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