Mark R Pederson

12PUBLICATIONS

55CO-AUTHORS

Theoretical quantum chemistryNonlinear optics and spectroscopySupramolecular chemistryComputational chemistryCondensed matter modelling and density functional theory

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Publications (12)

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|May 29, 2026

Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction.

|Apr 08, 2026

Atom-specific vibrational analysis reveals labile bonds in linear and branched PFOA molecules.

Jesús N Pedroza-Montero, Kushantha P K Withanage, Anri Karanovich

|Mar 30, 2026

Nuclear Spin-Spin Coupling Constants from Auxiliary Density Functional Theory.

Bernardo Zuniga-Gutierrez, Luis G Cota, Jesús N Pedroza-Montero

|Feb 20, 2026

Noniterative Fermi-Löwdin Orbitals for Self-Interaction Correction.

Juan E Peralta, Koblar A Jackson, Mark R Pederson

|Feb 19, 2026

Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons.

Mark R Pederson, Zahra Hooshmand, Difan Zhang

|Oct 21, 2024

Electronic structure simulations in the cloud computing environment.

Eric J Bylaska, Ajay Panyala, Nicholas P Bauman

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Frequent Collaborators

7 joint publications

Koblar A Jackson

5 joint publications

Kushantha P K Withanage

Tunna Baruah

Zahra Hooshmand

Yoh Yamamoto

Juan E Peralta

Alexander I Johnson

Jose Gustavo Bravo Flores

2 joint publications

John P Perdew

2 joint publications

Rohan Maniar

Frequent Collaborators

7 joint publications

Koblar A Jackson

5 joint publications

Kushantha P K Withanage

4 joint publications

Tunna Baruah

3 joint publications

Zahra Hooshmand