Koblar Alan Jackson

21PUBLICATIONS
67CO-AUTHORS
Theoretical quantum chemistryNonlinear optics and spectroscopyRadiation and matterComputational chemistryTerahertz physics
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Publications (21)

|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

|Feb 20, 2026
Noniterative Fermi-Löwdin Orbitals for Self-Interaction Correction.

Juan E Peralta, Koblar A Jackson, Mark R Pederson

|Apr 08, 2025
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi-Löwdin self-interaction correction calculations.

Duyen B Nguyen, Carlos Cárdenas, Jerónimo Lira

|Mar 07, 2025
Atomic ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms.

Rohan Maniar, Priyanka B Shukla, J Karl Johnson

|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

11 joint publications

Juan E Peralta

7 joint publications

Mark R Pederson

5 joint publications

J Karl Johnson

5 joint publications

Tunna Baruah