John P. Perdew

Research interests

Publications

• Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation

  The Journal of Physical Chemistry Letters · 2020 · 10.1021/acs.jpclett.0c02405

• Density functional theory is straying from the path toward the exact functional

  Science · 2017 · 10.1126/science.aah5975

• Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

  Nature Chemistry · 2016 · https://doi.org/10.1038/nchem.2535

• Strongly Constrained and Appropriately Normed Semilocal Density Functional

  Physical Review Letters · 2015 · https://doi.org/10.1103/physrevlett.115.036402

• Assessing the performance of recent density functionals for bulk solids

  Physical Review B · 2009 · https://doi.org/10.1103/physrevb.79.155107

• Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

  Physical Review Letters · 2008 · https://doi.org/10.1103/physrevlett.100.136406

• Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

  The Journal of Chemical Physics · 2005 · https://doi.org/10.1063/1.1904565

• Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids

  Physical Review Letters · 2003 · 10.1103/physrevlett.91.146401

• Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

  The Journal of Chemical Physics · 2003 · 10.1063/1.1626543

• Jacob’s ladder of density functional approximations for the exchange-correlation energy

  AIP conference proceedings · 2001 · 10.1063/1.1390175

• Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

  Physical Review Letters · 1997 · 10.1103/physrevlett.78.1396

• Generalized gradient approximation for the exchange-correlation hole of a many-electron system

  Physical review. B, Condensed matter · 1996 · 10.1103/physrevb.54.16533

• Generalized Gradient Approximation Made Simple

  Physical Review Letters · 1996 · https://doi.org/10.1103/physrevlett.77.3865

• Rationale for mixing exact exchange with density functional approximations

  The Journal of Chemical Physics · 1996 · 10.1063/1.472933

• Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

  Physical review. B, Condensed matter · 1993 · 10.1103/physrevb.48.4978.2

• Accurate and simple analytic representation of the electron-gas correlation energy

  Physical review. B, Condensed matter · 1992 · https://doi.org/10.1103/physrevb.45.13244

• Pair-distribution function and its coupling-constant average for the spin-polarized electron gas

  Physical review. B, Condensed matter · 1992 · 10.1103/physrevb.46.12947

• Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

  Physical review. B, Condensed matter · 1992 · https://doi.org/10.1103/physrevb.46.6671

• Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling

  Physical review. B, Condensed matter · 1991 · 10.1103/physrevb.44.13298

• Density-functional approximation for the correlation energy of the inhomogeneous electron gas

  Physical review. B, Condensed matter · 1986 · https://doi.org/10.1103/physrevb.33.8822

• Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

  Physical review. B, Condensed matter · 1986 · 10.1103/physrevb.33.8800

• Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas

  Physical review. B, Condensed matter · 1986 · 10.1103/physrevb.34.7406

• Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms

  Physical Review A · 1985 · 10.1103/physreva.32.2010

• Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities

  Physical Review Letters · 1983 · 10.1103/physrevlett.51.1884

• Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

  Physical Review Letters · 1982 · 10.1103/physrevlett.49.1691

• Self-interaction correction to density-functional approximations for many-electron systems

  Physical review. B, Condensed matter · 1981 · https://doi.org/10.1103/physrevb.23.5048

• Exchange-correlation energy of a metallic surface: Wave-vector analysis

  Physical review. B, Solid state · 1977 · 10.1103/physrevb.15.2884

Current projects

No projects listed.