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The last 5 uploaded publications
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals
Edward Pollack, Rohan Maniar, John P Perdew (2025). ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals. , 129(47), DOI: https://doi.org/10.1021/acs.jpca.5c05336.
Article35 days agoHartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes
Niraj Pangeni, Chandra Shahi, John P Perdew, Vishal Subramanian, Bikash Kanungo, Vikram Gavini, Adrienn Ruzsinszky (2025). Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes. , DOI: https://doi.org/10.26434/chemrxiv-2025-wfft9.
Preprint35 days agoSCAN meta-GGA, strong correlation, symmetry breaking, self-interaction correction, and semi-classical limit in density functional theory: Hidden connections and beneficial synergies?
John P Perdew (2025). SCAN meta-GGA, strong correlation, symmetry breaking, self-interaction correction, and semi-classical limit in density functional theory: Hidden connections and beneficial synergies?. , 1(1), DOI: https://doi.org/10.1063/5.0283429.
Article35 days agoSymmetry breaking transforms strong to normal correlation and false metals to true insulators
Alex Zunger, Jia-Xin Xiong, John P Perdew (2025). Symmetry breaking transforms strong to normal correlation and false metals to true insulators.
Article35 days agoHartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes
Adrienn Ruzsinszky, Niraj Pangeni, Chandra Shahi, John P Perdew, Vishal Subramanian, Bikash Kanungo, Vikram Gavini (2025). Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes. , DOI: https://doi.org/10.26434/chemrxiv-2025-wfft9-v2.
Article35 days ago