John P. Perdew

发表

Discovery of novel functional 2D materials via a 2D materials database

Jie Yu, Jinbo Pan, Haowei Peng, 2017 .

Center for the Computational Design of Functional Layered Materials: A New Energy Frontier Research Center at Temple University

Jianwei Sun, John P. Perdew, Xiaoxing Xi, 2014 .

Systematizing Approximate Density Functional Design

Jianwei Sun, John P. Perdew, Aaron Kaplan, 2020 .

The Importance of Smoothness with Exact Constraints in Functional Design

Jianwei Sun, John P. Perdew, Aaron Kaplan, 2020 .

Data-driven discovery of functional 2D materials utilizing a computational database for electronic structures

Hua Wang, Jie Yu, Jinbo Pan, 2018 .

Discontinuity of the exchange-correlation potential : Support for assumptions used to find it

John P. Perdew, Espen Sagvolden, J. Perdew, 2008 .

Electron correlation energies from scaled exchange-correlation kernels: Importance of spatial versus temporal nonlocality

John P. Perdew, Manfred Lein, E. K. U. Gross, 2000 .

Density-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge

John P. Perdew, Alex Zunger, A. Zunger, 1981 .

Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy

Jianmin Tao, John P. Perdew, Lucian A. Constantin, 2006 .

Generalized gradient approximation to the angle- and system-averaged exchange hole

John P. Perdew, J. Perdew, M. Ernzerhof, 1998 .

Study of the density-gradient expansion for the exchange energy

John P. Perdew, Viraht Sahni, J. Perdew, 1982 .

Density functional theory and the band gap problem

John P. Perdew, J. Perdew, 1986 .

Density-Gradient Analysis for Density Functional Theory: Application to Atoms*

Kieron Burke, John P. Perdew, Mauro Causà, 1997 .

MIXING EXACT EXCHANGE WITH GGA: WHEN TO SAY WHEN

Kieron Burke, John P. Perdew, Matthias Ernzerhof, 1998 .

Communication: self-interaction correction with unitary invariance in density functional theory.

Mark R. Pederson, John P. Perdew, Adrienn Ruzsinszky, 2014, The Journal of chemical physics.

Comment on ``Significance of the highest occupied Kohn-Sham eigenvalue''

John P. Perdew, Mel Levy, J. Perdew, 1997 .

Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

John P. Perdew, Mel Levy, J. Perdew, 1994 .

More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme

Haowei Peng, John P. Perdew, Jianwei Sun, 2016, 1603.00512.

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

John P. Perdew, Mel Levy, J. Perdew, 1983 .

Understanding band gaps of solids in generalized Kohn–Sham theory

Kieron Burke, Gustavo E. Scuseria, Haowei Peng, 2016, Proceedings of the National Academy of Sciences.

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

John P. Perdew, J. Perdew, D. Langreth, 1977 .

Erratum: Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation [Phys. Rev. Lett. 82, 2544 (1999)]

John P. Perdew, Peter Blaha, J. Perdew, 1999 .

Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

Gustavo E. Scuseria, John P. Perdew, Jianwei Sun, 2015, 1509.03251.

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

John P. Perdew, J. Perdew, K. Schmidt, 2001 .

On-Top Pair-Density Interpretation of Spin Density Functional Theory, with Applications to Magnetism

Kieron Burke, Andreas Savin, John P. Perdew, 1997 .

Exact differential equation for the density and ionization energy of a many-particle system

John P. Perdew, Mel Levy, Viraht Sahni, 1984 .

Exchange and correlation in open systems of fluctuating electron number

Jianmin Tao, Gustavo E. Scuseria, John P. Perdew, 2007 .

Michael Seidl, John P. Perdew, Mel Levy, 1999 .

Structural phase transitions in Si and SiO 2 crystals via the random phase approximation

Bing Xiao, John P. Perdew, Adrienn Ruzsinszky, 2012 .

Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

Jianmin Tao, Gustavo E. Scuseria, John P. Perdew, 2008, 0808.2523.

Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method

Georg Kresse, Gábor I. Csonka, John P. Perdew, 2011 .

Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works

John P. Perdew, J. Perdew, D. Langreth, 1980 .

The exchange-correlation energy of a metallic surface

John P. Perdew, J. Perdew, D. Langreth, 1975 .

Efficient first-principles prediction of solid stability: Towards chemical accuracy

Gerbrand Ceder, Tina Chen, Haowei Peng, 2018, npj Computational Materials.

Compression of Metallic Clusters in the Stabilized Jellium Model

John P. Perdew, Carlos Fiolhais, Armando Vieira, 1994 .

Variational calculations of low-index crystal face-dependent surface energies and work functions of simple metals

John P. Perdew, Viraht Sahni, J. Perdew, 1981 .

Self-expansion and compression of charged clusters of stabilized jellium

John P. Perdew, Carlos Fiolhais, Armando Vieira, 1996 .

Climbing the ladder of density functional approximations

John P. Perdew, J. Perdew, 2013 .

Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation

John P. Perdew, Peter Blaha, J. Perdew, 1999 .

Exchange-Correlation Energy Functional Based on the Airy-Gas Reference System

John P. Perdew, Adrienn Ruzsinszky, Lucian A. Constantin, 2009, 0906.5032.

Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential

John P. Perdew, J. Perdew, S. Kummel, 2003, cond-mat/0303396.

Ranking the Physics Departments: Use Citation Analysis

John P. Perdew, Frank J. Tipler, J. Perdew, 1996 .

Density Functionals for Non-relativistic Coulomb Systems in the New Century

John P. Perdew, J. Perdew, S. Kurth, 2003 .

Density functionals from LDA to GGA

John P. Perdew, J. Perdew, S. Kurth, 1998 .

Erratum: Correlation energy of the uniform electron gas from an interpolation between high- and low-density limits [Phys. Rev. B 81, 085123 (2010)]

Michael Seidl, John P. Perdew, Jianwei Sun, 2018, Physical Review B.

Transferability of a local pseudopotential based on solid-state electron density

Fernando Nogueira, Angel Rubio, John P. Perdew, 1996 .

Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119, 12129 (2003)]

Jianmin Tao, Gustavo E. Scuseria, John P. Perdew, 2004 .

Water Oxidation Catalyzed by Cobalt Oxide Supported on the Mattagamite Phase of CoTe2

Haowei Peng, John P. Perdew, Jianwei Sun, 2016 .

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

M. G. Medvedev, John P. Perdew, Konstantin A. Lyssenko, 2017, Science.

Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles

John P. Perdew, Adrienn Ruzsinszky, J. Perdew, 2011 .

Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes

John P. Perdew, Zidan Yan, J. Perdew, 2000 .

A self-interaction corrected approach to many-electron systems: Beyond the local spin density approximation

John P. Perdew, Alex Zunger, G. L. Oliver, 1980 .

Comparison shopping for a gradient-corrected density functional

Kieron Burke, John P. Perdew, K. Burke, 1996 .

Distributions and averages of electron density parameters: Explaining the effects of gradient corrections

Kieron Burke, John P. Perdew, K. Burke, 1997 .

The adiabatic connection method: a non-empirical hybrid

Kieron Burke, John P. Perdew, K. Burke, 1997 .

Tests of a ladder of density functionals for bulk solids and surfaces

Jianmin Tao, Gustavo E. Scuseria, John P. Perdew, 2004 .

Understanding and correcting the self-interaction error in the electrical response of hydrogen chains

Gábor I. Csonka, Gustavo E. Scuseria, John P. Perdew, 2008 .

DRIVING OUT THE SELF-INTERACTION ERROR

John P. Perdew, J. Perdew, M. Ernzerhof, 1998 .

Reply to “Comment on ‘Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model’ ”

John P. Perdew, J. Perdew, C. Fiolhais, 2003 .

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett. 100 , 136406 (2008)]

Kieron Burke, Gábor I. Csonka, Gustavo E. Scuseria, 2009 .

Volume shift and charge instability of simple-metal clusters

John P. Perdew, J. Perdew, C. Fiolhais, 1996 .

DENSITY-FUNCTIONAL CORRECTION OF RANDOM-PHASE-APPROXIMATION CORRELATION WITH RESULTS FOR JELLIUM SURFACE ENERGIES

John P. Perdew, Stefan Kurth, 1999 .

Molecular and solid‐state tests of density functional approximations: LSD, GGAs, and meta‐GGAs

John P. Perdew, Peter Blaha, J. Perdew, 1999 .

Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences

Kieron Burke, John P. Perdew, K. Burke, 1998 .

Full self-consistency in the Fermi-orbital self-interaction correction

Mark R. Pederson, John P. Perdew, J. Perdew, 2017, 1703.10742.