Rajendra R. Zope - Publications, H-index & Citations

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Rajendra R. Zope

university of texas system

27H-index

178Paper Count

2.8KCitation Count

Published Papers 54

Publication Date

Polarizability of Polymers Using One-Electron Self-Interaction-Corrected Density Functional Methods

The Journal of Physical Chemistry A

IF2.8

2025-12-11

PREAI

Prakash Mishra; Yoh Yamamoto; Peter Ufondu; Tunna Baruah; Rajendra R. Zope

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How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-02-22

OAAI

Zope, Rajendra R.; Yamamoto, Yoh; Baruah, Tunna

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Use of FLOSIC for understanding anion-solvent interactions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-10-20

OAAI

Pederson, 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

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-05-22

OAAI

Olmos, 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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-25

OAAI

Ufondu, Peter; Chang, Po-Hao; Baruah, Tunna; Zope, Rajendra R.

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Self-consistent implementation of locally scaled self-interaction-correction method

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-02-13

OAAI

Yamamoto, 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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-02-06

OAAI

Romero, Selim; Baruah, Tunna; Zope, Rajendra R. R.

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Pressure dependent magnetic properties on bulk CrBr3 single crystals

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2022-08-01

OAAI

Olmos, Rubyann; Alam, Shamsul; Chang, Po-Hao; Gandha, Kinjal; Nlebedim, Ikenna C.; Cole, Andrew; Tafti, Fazel; Zope, Rajendra R.; Singamaneni, Srinivasa R.

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Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-01-06

OAAI

Mishra, Prakash; Yamamoto, Yoh; Johnson, J. Karl; Jackson, Koblar A.; Zope, Rajendra R.; Baruah, Tunna

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Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-08-13

OAAI

Diaz, Carlos M.; Basurto, Luis; Adhikari, Santosh; Yamamoto, Yoh; Ruzsinszky, Adrienn; Baruah, Tunna; Zope, Rajendra R.

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Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-03-19

OAAI

Akter, Sharmin; Yamamoto, Yoh; Zope, Rajendra R.; Baruah, Tunna

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Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-03-01

OAAI

Bhattarai, Puskar; Santra, Biswajit; Wagle, Kamal; Yamamoto, Yoh; Zope, Rajendra R.; Ruzsinszky, Adrienn; Jackson, Koblar A.; Perdew, John P.

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Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Lowdin orbitals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-02-23

OAAI

Diaz, Carlos M.; Suryanarayana, Phanish; Xu, Qimen; Baruah, Tunna; Pask, John E.; Zope, Rajendra R.

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JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-01-08

OAAI

Withanage, 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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-10-22

OAAI

Akter, Sharmin; Yamamoto, Yoh; Diaz, Carlos M.; Jackson, Koblar A.; Zope, Rajendra R.; Baruah, Tunna

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A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-06-04

OAAI

Bhattarai, Puskar; Wagle, Kamal; Shahi, Chandra; Yamamoto, Yoh; Romero, Selim; Santra, Biswajit; Zope, Rajendra R.; Peralta, Juan E.; Jackson, Koblar A.; Perdew, John P.

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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

IF9.1

2020-05-11

OAAI

Sharkasa, 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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-05-06

OAAI

Yamamoto, Yoh; Romero, Selim; Baruah, Tunna; Zope, Rajendra R.

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A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-12-05

OAAI

Zope, Rajendra R.; Yamamoto, Yoh; Diaz, Carlos M.; Baruah, Tunna; Peralta, Juan E.; Jackson, Koblar A.; Santra, Biswajit; Perdew, John P.

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The effect of self-interaction error on electrostatic dipoles calculated using density functional theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-11-04

OAAI

Johnson, Alexander I.; Withanage, Kushantha P. K.; Sharkas, Kamal; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Peralta, Juan E.; Jackson, Koblar A.

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Research Directions