Tunna Baruah

7PUBLICATIONS
15CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theoryStatistical mechanics in chemistryChemical thermodynamics and energetics
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Publications (7)

|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

|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

|May 10, 2020
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions.

Yoh Yamamoto, Selim Romero, Tunna Baruah

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Frequent Collaborators

7 joint publications

Rajendra R Zope

5 joint publications

Yoh Yamamoto

4 joint publications

Carlos M Diaz

3 joint publications

Koblar A Jackson