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Carlos M Diaz

5PUBLICATIONS
12CO-AUTHORS
Theoretical quantum chemistryStatistical mechanics in chemistryChemical thermodynamics and energetics
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Publications (5)

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

Carlos M Diaz, Luis Basurto, Santosh Adhikari

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

Carlos M Diaz, Phanish Suryanarayana, Qimen Xu

|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

|Dec 12, 2019
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction.

Rajendra R Zope, Yoh Yamamoto, Carlos M Diaz

|Oct 24, 2019
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional.

Yoh Yamamoto, Carlos M Diaz, Luis Basurto

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Frequent Collaborators

5 joint publications

Rajendra R Zope

4 joint publications

Yoh Yamamoto

4 joint publications

Tunna Baruah

3 joint publications

Koblar A Jackson

1 joint publications

Juan E Peralta

1 joint publications

Biswajit Santra

1 joint publications

John P Perdew

1 joint publications

Sharmin Akter

1 joint publications

Phanish Suryanarayana

1 joint publications

John E Pask

Frequent Collaborators

5 joint publications

Rajendra R Zope

4 joint publications

Yoh Yamamoto

4 joint publications

Tunna Baruah

3 joint publications

Koblar A Jackson

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