John P. Perdew

Tulane University — United States

Physics and Astronomy · Physical Sciences

113h-index416.1kcitations554works3.72yr avg
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Research Topics

Advanced Chemical Physics Studies(347), Spectroscopy and Quantum Chemical Studies(99), Machine Learning in Materials Science(85), nanoparticles nucleation surface interactions(51), Molecular Junctions and Nanostructures(50)

Publications554 total

Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes
2025
Symmetry breaking transforms strong to normal correlation and false metals to true insulators
arXiv (Cornell University)·2025Open Access
Symmetry breaking transforms strong to normal correlation and false metals to true insulators
ArXiv.org·2025Open Access
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals
The Journal of Physical Chemistry A·2025
Electron Localization in Non-Compact Covalent Bonds Captured by the r2SCAN+V Approach
arXiv (Cornell University)·2025Open Access
SCAN meta-GGA, strong correlation, symmetry breaking, self-interaction correction, and semi-classical limit in density functional theory: Hidden connections and beneficial synergies?
APL Computational Physics·2025· 1 citedOpen Access
ΔSCF Excitation Energies Up a Ladder of Ground-State Density Functionals
arXiv (Cornell University)·2025Open Access
Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes
2025Open Access
Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density
arXiv (Cornell University)·2025Open Access
Comment on “Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation”
Physical Review Letters·2025· 6 citedOpen Access
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi–Löwdin self-interaction correction calculations
The Journal of Chemical Physics·2025· 3 cited
Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms
Proceedings of the National Academy of Sciences·2025· 2 citedOpen Access
Comparison of meta-GGAs, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math> corrections, and hybrid functionals for polaronic point defects in layered <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MnO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>NiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>, and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KCoO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical review. B./Physical review. B·2024· 3 cited
Effect of strain on the band gap of monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical review. B./Physical review. B·2024· 16 citedOpen Access
Vertical Ionization Energies, Generalized Kohn–Sham Orbital Energies, and the Curious Case of the Copper Oxide Anions
The Journal of Physical Chemistry A·2024
Atomic Ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms
arXiv (Cornell University)·2024Open Access
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
Journal of Chemical Theory and Computation·2024· 12 citedOpen Access
Effect of Strain on the Band Gap of Monolayer MoS$_2$
arXiv (Cornell University)·2024Open Access
Vertical Ionization Energies, GeneralizedKohn-Sham Orbital Energies, and the CuriousCase of the Copper Oxide Anions
2024Open Access
How does HF-DFT achieve chemical accuracy for water clusters?
2024· 1 citedOpen Access
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Frequent Co-authors

Adrienn Ruzsinszky(10), Gustavo E. Scuseria(10), Kieron Burke(8), Gábor I. Csonka(7), Jianwei Sun(7), Yue Wang(5), Oleg A. Vydrov(5), Jianmin Tao(5), Viktor N. Staroverov(5), Mel Levy(5), Matthias Ernzerhof(4), Lucian A. Constantin(4), David C. Langreth(3), Haowei Peng(3), Zeng-hui Yang(3), J. A. Chevary(2), S. H. Vosko(2), Koblar Alan Jackson(2), Mark R. Pederson(2), Carlos Fiolhais(2)