Kamal Wagle

Los Alamos National Laboratory — United States

Physics and Astronomy · Physical Sciences

3h-index175citations12works0.52yr avg
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Research Topics

Advanced Chemical Physics Studies(4), Solid-state spectroscopy and crystallography(4), Physics of Superconductivity and Magnetism(2), Spectroscopy and Quantum Chemical Studies(2), Advanced NMR Techniques and Applications(2)

Publications12 total

Standoff detection of fentanyl hydrochloride via nuclear quadrupole resonance: A multimodality pursuit
PNAS Nexus·2025Open Access
Effect of Dynamical Motion in <i>ab Initio</i> Calculations of Solid-State Nuclear Magnetic and Nuclear Quadrupole Resonance Spectra
Chemistry of Materials·2024· 1 citedOpen Access
Perdew-Zunger Self-Interaction Correction in Ion-Water Clusters
Bulletin of the American Physical Society·2021
Scaling down the Perdew-Zunger self-interaction correction to the first three rungs of the ladder of density functional approximations
Bulletin of the American Physical Society·2021
Enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction
Bulletin of the American Physical Society·2021· 1 cited
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
The Journal of Chemical Physics·2020Open Access
Self-interaction error overbinds water clusters but cancels in structural energy differences
Proceedings of the National Academy of Sciences·2020· 95 citedOpen Access
Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters
Bulletin of the American Physical Society·2020
Performance of scaled self-interaction correction to semilocal functionals
Bulletin of the American Physical Society·2020
Stretched or noded orbital densities and self-interaction correction in density functional theory
The Journal of Chemical Physics·2019· 63 citedOpen Access
The Quasi-2D Electron Gas and Density Functional Theory: Finding a Finite Limit
Bulletin of the American Physical Society·2019
Collapse of the electron gas from three to two dimensions in Kohn-Sham density functional theory
Physical review. B./Physical review. B·2018· 15 citedOpen Access

Frequent Co-authors

John P. Perdew(10), Biswajit Santra(8), Puskar Bhattarai(6), Rajendra R. Zope(5), Juan E. Peralta(4), Chandra Shahi(4), Tunna Baruah(3), Koblar Alan Jackson(3), Yoh Yamamoto(3), Aaron D. Kaplan(3), Kamal Sharkas(2), Sharmin Akter(2), Daniel A. Rehn(2), Harris E. Mason(2), Michael Malone(2), Koblar Jackson(2), Sebastian Schwalbe(1), Torsten Hahn(1), Jens Kortus(1), Kai Trepte(1)