Rajendra R Zope

11PUBLICATIONS
17CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theoryChemical thermodynamics and energeticsStatistical mechanics in chemistry
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Publications (11)

|Aug 15, 2021
Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method.

Carlos M Diaz, Luis Basurto, Santosh Adhikari

|Mar 23, 2021
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations.

Sharmin Akter, Yoh Yamamoto, Rajendra R Zope

|Mar 09, 2021
Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction.

Puskar Bhattarai, Biswajit Santra, Kamal Wagle

|Feb 28, 2021
Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals.

Carlos M Diaz, Phanish Suryanarayana, Qimen Xu

|Jan 15, 2021
Density-related properties from self-interaction corrected density functional theory calculations.

Kushantha P K Withanage, Puskar Bhattarai, Juan E Peralta

|Nov 03, 2020
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.

Sharmin Akter, Yoh Yamamoto, Carlos M Diaz

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Frequent Collaborators

9 joint publications

Yoh Yamamoto

7 joint publications

Koblar A Jackson

7 joint publications

Tunna Baruah

5 joint publications

Carlos M Diaz