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List of works by John Perdew

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

scientific article published in June 1980

A simple but fully nonlocal correction to the random phase approximation.

scientific article

A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

scientific article published on 01 December 2019

A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation

scientific article published on 01 June 2020

Ab Initio Calculation of the Spin Susceptibility for the Alkali Metals Using the Density-Functional Formalism

scientific article published on 22 December 1975

Ab initio theory and modeling of water

scientific article published on 25 September 2017

Accuracy of first-principles interatomic interactions and predictions of ferroelectric phase transitions in perovskite oxides: Energy functional and effective Hamiltonian

scientific article published on 15 February 2017

Accurate Density Functional for the Energy: Real-Space Cutoff of the Gradient Expansion for the Exchange Hole

scientific article published on 18 November 1985

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

scientific article published on 22 March 1999

Accurate and Numerically Efficient r2SCAN Meta-generalized Gradient Approximation

scientific article published on 02 September 2020

Accurate and easy method for work function calculations

scientific article published in April 1979

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

scientific article

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

scientific article published on 01 June 1986

Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

scientific article published on 26 March 2018

Accurate density functional for the energy: Real-space cutoff of the gradient expansion for the exchange hole

scientific article published on 01 October 1985

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

scientific article published on 13 June 2016

Accurate van der Waals coefficients from density functional theory ⬇️

scientific article published on December 28, 2011

Anisotropic Conductivity at the Single-Molecule Scale

scientific article published on 07 August 2019

Assessing the performance of recent density functionals for bulk solids

scientific article published on 10 April 2009

Assessment of a density functional with full exact exchange and balanced non-locality of correlation

scientific article published on 20 April 2009

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

scientific article

Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction

scientific article published on 21 September 2016

Bending Two-Dimensional Materials To Control Charge Localization and Fermi-Level Shift.

scientific article published on 3 March 2016

Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics

scientific article published on 01 December 2005

Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules

scientific article published on 01 December 2005

Calculated electron affinities of the elements

scientific article

Calculation and interpretation of classical turning surfaces in solids

scientific article published in February 2021

Calculation of the band structure, Fermi surface, and interband optical conductivity of lithium

scientific article published in July 1974

Calculation of the band structure, Fermi surface, and interband optical conductivity of lithium

scientific article published in March 1974

Can desorption be described by the local density formalism?

scientific article published in June 1984

Can desorption be described by the local density formalism?

scientific article

Change-in-self-consistent-field theory of the work function

scientific article published on 15 July 1978

Charge and Spin Density Waves in Jellium

scientific article published in November 1980

Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

scientific article published on January 1988

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

scientific article published on September 30, 2003

Cobalt Intercalated Layered NiFe Double Hydroxides for the Oxygen Evolution Reaction.

scientific article

Collapse of the electron gas from three to two dimensions in Kohn-Sham density functional theory

scientific article published on 28 August 2018

Collapse of the electron gas to two dimensions in density functional theory

scientific article published on 03 July 2008

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

scientific article published on 21 December 2015

Comment on “Correlation holes in a spin-polarized dense electron gas”

scientific article published on 15 July 2000

Comment on “Functional derivative of the universal density functional in Fock space”

scientific article published on 2 February 2009

Comment on “Significance of the highest occupied Kohn-Sham eigenvalue”

scientific article

Comments on the metal surface from a simple analytic model

scientific article published on 15 January 1980

Communication: Ionization potentials in the limit of large atomic number.

scientific article

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

scientific article published on 01 May 2016

Communication: Non-additivity of van der Waals interactions between nanostructures

scientific article published on 01 October 2014

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

scientific article

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

scientific article published on 15 December 2003

Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

scientific article published on 24 July 2017

Comparison of Spherical Cell, OPW, and APW Methods for Hyperfine Contact Densities

scientific article published on 15 March 1975

Competing stripe and magnetic phases in the cuprates from first principles

scientific article published on 16 December 2019

Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density

scientific article

Constraint-based wave vector and frequency dependent exchange-correlation kernel of the uniform electron gas

scientific article published on 11 June 2020

Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals

scientific article published on 21 December 2021

Correction to "Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation"

scientific article published on 19 October 2020

Corrections to the Local Density Approximation: Gradient Expansion versus Wave-Vector Analysis for the Metallic Surface Problem

scientific article published on 2 May 1977

Correlation energy of the uniform electron gas from an interpolation between high- and low-density limits

scientific article published on 24 February 2010

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

scientific article published on 01 December 1991

DENSITY FUNCTIONALS AND SMALL INTERPARTICLE SEPARATIONS IN ELECTRONIC SYSTEMS

scientific article published on 20 June 1995

Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists

scientific article published in January 2010

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

scientific article published on 15 June 2000

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

scientific article

Density functional theory of autodetaching states

scientific article published on 14 April 1981

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

scientific article published on 25 November 2008

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

scientific article published on 15 May 2020

Density functionals for the strong-interaction limit

scientific article published on 7 June 2000

Density functionals from LDA to GGA

scientific article published in April 1998

Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+

scientific article published on 01 March 2007

Density functionals that recognize covalent, metallic, and weak bonds.

scientific article

Density of states and spin susceptibility of a finite metal: Normal and giant surface effects

scientific article published on 15 August 1977

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

scientific article

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

scientific article

Density-functional correction of random-phase-approximation correlation with results for jellium surface energies

scientific article published on 15 April 1999

Density-functional energy gaps of solids demystified

scientific article published in June 2018

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

scientific article

Density-functional versus wave-function methods: Toward a benchmark for the jellium surface energy

scientific article published on 15 January 2000

Density-related properties from self-interaction corrected density functional theory calculations

scientific article published on 14 January 2021

Different bonding type along each crystallographic axis: Computational study of poly(p-phenylene terephthalamide)

scientific article published on 4 May 2020

Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction

scientific article published on 01 June 2007

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

scientific article published on 31 January 2008

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

scientific article published on 22 June 1997

Dominant density parameters and local pseudopotentials for simple metals

scientific article published on 01 May 1995

EXPLORING THE ADIABATIC CONNECTION BETWEEN WEAK- AND STRONG-INTERACTION LIMITS IN DENSITY FUNCTIONAL THEORY

scientific article published on 10 May 2001

EXPLORING THE ADIABATIC CONNECTION BETWEEN WEAK- AND STRONG-INTERACTION LIMITS IN DENSITY FUNCTIONAL THEORY

scientific article published in September 2000

Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction

article published in 2017

Effects of an intense electric field on metal surface geometry

scientific article published in November 1982

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

scientific article published on 9 March 2018

Electrical response of molecular chains from density functional theory

scientific article published on 15 November 2004

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

scientific article published on 15 May 2000

Electron removal energies in Kohn-Sham density-functional theory

scientific article published on 15 November 1982

Electron–Phonon Interaction in Simple Metals: Beyond the Diffraction Model

scientific article published on 15 July 1974

Energetics of charged metallic particles: From atom to bulk solid

scientific article published on 01 April 1988

Energetics ofMnO2polymorphs in density functional theory

scientific article

Energies of curved metallic surfaces from the stabilized-jellium model

scientific article published on 01 March 1992

Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functionals

scientific article published on 14 July 2004

Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model

scientific article published on 24 May 2001

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

scientific article published on 21 June 1999

Erratum: Accurate and simple analytic representation of the electron-gas correlation energy [Phys. Rev. B 45, 13244 (1992)]

scientific article published on 14 August 2018

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

scientific article published on 01 August 1989

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

scientific article published on 01 August 1993

Erratum: Collapse of the Electron Gas to Two Dimensions in Density Functional Theory [Phys. Rev. Lett.101, 016406 (2008)]

scientific article published on 29 December 2008

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

scientific article published on 14 August 2018

Erratum: Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes [Phys. Rev. B61, 16430 (2000)]

scientific article published on 8 April 2010

Erratum: Density functionals for the strong-interaction limit [Phys. Rev. A62, 012502 (2000)]

scientific article published on 26 August 2005

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

scientific article published on 01 November 1986

Erratum: Density-functional correction of random-phase-approximation correlation with results for jellium surface energies [Phys. Rev. B 59, 10 461 (1999)]

scientific article published on 15 October 1999

Erratum: Density-functional versus wave-function methods: Toward a benchmark for the jellium surface energy [Phys. Rev. B61, 2595 (2000)]

scientific article published on 2 July 2001

Erratum: Dominant density parameters and local pseudopotentials for simple metals

scientific article published on 01 May 1996

Erratum: Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities

scientific article published on 01 March 1988

Erratum: Generalized gradient approximation for the exchange-correlation hole of a many-electron system [Phys. Rev. B54, 16 533 (1996)]

scientific article published on 15 June 1998

Erratum: Lattice constants from semilocal density functionals with zero-point phonon correction [Phys. Rev. B85, 014111 (2012)]

scientific article published on 12 March 2012

Erratum: Metal-cluster ionization energy: A profile-insensitive exact expression for the size effect [Phys. Rev. B55, 13 288 (1997)]

scientific article published on 15 February 1998

Erratum: Modeling the physisorption of graphene on metals [Phys. Rev. B 97 , 165403 (2018)]

scientific article published in April 2019

Erratum: Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response [Phys. Rev. B77, 245107 (2008)]

scientific article published on 31 December 2008

Erratum: Pair-distribution function and its coupling-constant average for the spin-polarized electron gas [Phys. Rev. B46, 12 947 (1992)]

scientific article published on 15 September 1997

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

scientific article published on 22 January 2009

Erratum: Simple self-interaction correction to random-phase-approximation-like correlation energies [Phys. Rev. A 100, 022515 (2019)]

scientific article published on 13 May 2020

Erratum: Spherical voids in the stabilized jellium model: Rigorous theorems and Padé representation of the void-formation energy

scientific article published in August 1994

Erratum: Surfaces of real metals by the variational self-consistent method

scientific article published on 15 July 1980

Erratum: Tests of a ladder of density functionals for bulk solids and surfaces [Phys. Rev. B69, 075102 (2004)]

scientific article published on 31 December 2008

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

scientific article published on 15 August 1981

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

scientific article published on 29 April 2011

Erratum: “Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems” [J. Chem. Phys. 144, 191101 (2016)]

scientific article published on 01 July 2016

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

scientific article published in 2004

Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory

scientific article published in June 1995

Estimation, computation, and experimental correction of molecular zero-point vibrational energies.

scientific article published in August 2005

Evaluating density functional performance for the quasi-two-dimensional electron gas

scientific article published on 3 February 2000

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

scientific article published in November 1984

Exact-exchange energy density in the gauge of a semilocal density-functional approximation

scientific article published on 23 January 2008

Exchange and correlation in open systems of fluctuating electron number

scientific article published on 10 October 2007

Exchange potentials in density-functional theory

scientific article published on 01 January 1990

Exchange-correlation energy functional based on the Airy-gas reference system

scientific article published on 23 July 2009

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

scientific article published on 15 March 1977

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

scientific article published on 15 September 1982

Exchange-correlation hole of a generalized gradient approximation for solids and surfaces

scientific article published on 27 February 2009

Expectation values in density-functional theory, and kinetic contribution to the exchange-correlation energy

scientific article published on 01 January 1993

Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction

scientific article published on 7 March 2021

Extrema of the density functional for the energy: Excited states from the ground-state theory

scientific article published on 01 May 1985

First principles calculations of the volume dependence of the spin susceptibility for Li and Na

scientific article published in January 1976

First-principles study of the binding energy between nanostructures and its scaling with system size

scientific article published on 19 April 2018

Folding and Pseudopotential Theory

scientific article published in May 1974

Formation energies of metallic voids, edges, and steps: Generalized liquid-drop model

scientific article published on 01 June 1993

Fourteen easy lessons in density functional theory

article

Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities

scientific article published on 01 July 1986

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

scientific article published on 22 May 2017

Gedanken densities and exact constraints in density functional theory.

scientific article published in May 2014

Generalized Gradient Approximation Made Simple

scientific article

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

scientific article published on 17 February 1997

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

scientific article published on 01 December 1996

Generalized gradient approximation for the fermion kinetic energy as a functional of the density

scientific article published in May 1992

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

scientific article published in September 1998

Generalized gradient approximations for exchange and correlation: A look backward and forward

scientific article published in June 1991

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

scientific article published on 01 October 1985

Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO2 Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/g

scientific article published on 24 March 2020

High-density limit of the Perdew-Burke-Ernzerhof generalized gradient approximation and related density functionals

scientific article published on 5 October 2006

High-energy optical conductivity of lithium: A window for plasmon-induced absorption?

scientific article published in July 1974

High-level correlated approach to the jellium surface energy, without uniform-gas input

scientific article published on 24 January 2008

How accurate are the parametrized correlation energies of the uniform electron gas?

scientific article published on 15 May 2018

How metals bind: The deformable-jellium model with correlated electrons

scientific article published in October 2003

Hybrid functionals with local range separation

scientific article published on 01 September 2008

Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment ⬇️

scientific article published on May 14, 2012

Ice phases under ambient and high pressure: Insights from density functional theory

scientific article published on 5 June 2013

Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory

scientific article published on 01 June 2008

Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional

scholarly article in Physical Review B, vol. 83 no. 12, March 2011

Improving energies by using exact electron densities

scientific article published on 01 May 1996

Indirect-path methods for atomic and molecular energies, and new Koopmans theorems

scientific article published in September 1987

Insensitivity of the error of the minimally empirical hybrid functional revTPSSh to its parameters

scientific article published on 01 December 2012

Ionization energy and electron affinity of a metal cluster in the stabilized jellium model: Size effect and charging limit

scientific article published on 15 May 1998

Is the local density approximation exact for short wavelength fluctuations?

scientific article published on 01 August 1994

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

scientific article

Jellium work function for all electron densities

scientific article published on 01 December 1988

Knight Shifts and Pauli Susceptibilities in Alkali Metals and Alloys

scientific article published on 15 March 1973

Knight shifts and Pauli susceptibilities in alkali metal alloys

scientific article published in December 1970

LONG-RANGE VAN DER WAALS INTERACTION

scientific article published on 10 July 2013

Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

scientific article published on 19 April 2007

Laplacian-level meta-generalized gradient approximation for solid and liquid metals

scientific article published in 2022

Lattice constants from semilocal density functionals with zero-point phonon correction

scientific article published on 20 January 2012

Liquid-drop model for crystalline metals: Vacancy-formation, cohesive, and face-dependent surface energies

scientific article published on 01 January 1991

Long-range van der Waals attraction and alkali-metal lattice constants

scientific article published on 11 June 2010

Long‐range asymptotic behavior of ground‐state wave functions, one‐matrices, and pair densities

scientific article published on 15 August 1996

Low-density limit of the correlation energy in the random-phase approximation for charged particles of arbitrary statistics

scientific article published on 01 November 1992

METAL-SURFACE CORRELATION ENERGY FROM THE LIQUID DROP MODEL: A BACK-OF-THE-ENVELOPE ESTIMATE

scientific article published on 10 July 1991

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

scientific article published on 3 May 2006

Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional

scientific article published on 01 April 2004

Meta-generalized gradient approximation: non-empirical construction and performance of a density functional

scientific article published in March 2007

Metal surface energy: Persistent cancellation of short-range correlation effects beyond the random phase approximation

scientific article published on 6 January 2003

Metal-cluster ionization energy: A profile-insensitive exact expression for the size effect

scientific article published on 15 May 1997

Modeling the physisorption of graphene on metals

scientific article published on 4 April 2018

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

scientific article published in 1999

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

scholarly article

Nonempirical construction of current-density functionals from conventional density-functional approximations

scientific article published on 01 November 2005

Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response

scientific article published on 5 June 2008

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

scientific article published on 22 January 1998

Numerical test of the sixth-order gradient expansion for the kinetic energy:Application to the monovacancy in jellium

scientific article published in June 1997

On the local density approximation for Breit interaction

scientific article published on 20 September 1982

One-parameter optimization of a nonempirical meta-generalized-gradient-approximation for the exchange-correlation energy

scientific article published on 9 October 2007

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

scientific article published on 7 July 2003

Orbital functional for exchange and correlation: self-interaction correction to the local density approximation

scientific article published in June 1979

Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures

scientific article published on 01 February 2018

Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities

scholarly article

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

scientific article published on 01 November 1992

Paradox of Self-Interaction Correction

scientific article published in 2015

Perdew et al. Reply:

scientific article published on 5 December 2008

Perdew, Burke, and Ernzerhof Reply:

scientific article published on 26 January 1998

Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?

scientific article published on 01 May 2019

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

scientific article published on 13 November 2012

Phonon frequencies of lithium from a local effective potential

scientific article published in August 1976

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

scientific article published on 14 November 1983

Physics of lattice relaxation at aluminium surfaces

scientific article published in November 1980

Physics of lattice relaxation at surfaces of simple metals

scientific article published on 15 May 1982

Planar-surface charge densities and energies beyond the local-density approximation

scientific article published on 01 March 1990

Potential-Induced High-Conductance Transport Pathways through Single-Molecule Junctions

scientific article published on 17 June 2019

Predictive design of intrinsic half-metallicity in zigzag tungsten dichalcogenide nanoribbons

scientific article published on 8 November 2019

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

scientific article

Pressure-induced phase transitions in solid Si,SiO2,and Fe: Performance of local-spin-density and generalized-gradient-approximation density functionals

scientific article published in November 1998

Proper gaussian basis sets for density functional studies of water dimers and trimers

scientific article published on 01 November 2005

Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality.

scientific article published on 17 October 2017

Properties of the exchange hole under an appropriate coordinate transformation

scientific article published in October 2003

Ranking the Physics Departments: Use Citation Analysis

scientific article published in October 1996

Rationale for mixing exact exchange with density functional approximations

scientific article (publication date: 8 December 1996)

Redox properties of birnessite from a defect perspective

scientific article published on 21 August 2017

Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials ⬇️

scholarly article in Physical Review B, vol. 95 no. 8, February 2017

Relevance of the slowly varying electron gas to atoms, molecules, and solids

scientific article published on 30 November 2006

Reply to "Comment on `Electron removal energies in Kohn-Sham density-functional theory' "

scientific article published on 15 September 1984

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

scientific article published on 29 January 2003

Response to Comment on "Density functional theory is straying from the path toward the exact functional".

scientific article

Restoring the density-gradient expansion for exchange in solids and surfaces.

scientific article published on 4 April 2008

Rethinking CO adsorption on transition-metal surfaces: Effect of density-driven self-interaction errors

scientific article published on 29 July 2019

Role of the exchange-correlation energy: Nature's glue

scientific article published in 2000

Scaling down the Perdew-Zunger self-interaction correction in many-electron regions

scientific article published on 01 March 2006

Screened van der Waals correction to density functional theory for solids

scientific article published on 21 July 2017

Self-compression of metallic clusters under surface tension

scientific article published in December 1993

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

scientific article

Self-interaction correction in water–ion clusters

scientific article published on 7 March 2021

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

scientific article

Self-interaction error overbinds water clusters but cancels in structural energy differences

scientific article published on 11 May 2020

Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction

scientific article published on 8 July 2019

Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence

article

Semilocal density functional obeying a strongly tightened bound for exchange

scientific article

Short-range correlation in the uniform electron gas: Extended Overhauser model

scientific article published on 18 September 2001

Simple analytic mode for the hyperfine contact density in a metal

scientific article published in September 1974

Simple charge-transfer model to explain the electrical response of hydrogen chains

scientific article published on 15 August 2008

Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

scientific article published on 01 August 2020

Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange

scientific article published on 30 January 2003

Simple physical picture of the Overhauser screened electron-electron interaction

scholarly article in Physical Review B, vol. 69 no. 4, January 2004

Simple self-interaction correction to random-phase-approximation-like correlation energies

scientific article published on 27 August 2019

Simple theories for simple metals: Face-dependent surface energies and work functions

scientific article published in January 1995

Simplified self-interaction correction applied to the energy bands of neon and sodium chloride

scientific article published on 15 August 1983

Simulation of All-Order Density-Functional Perturbation Theory, Using the Second Order and the Strong-Correlation Limit

scientific article published on 29 May 2000

Size-Consistency, Self-Interaction Correction, and Derivative Discontinuity in Density Functional Theory

scientific article published in 1990

Size-dependent ionization energy of a metallic cluster: Resolution of the classical image-potential paradox

scientific article published in August 1994

Small and large wave-vector behavior for the structure factor of an interacting non-uniform electron gas: A reply

scientific article published in December 1982

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

scientific article published on 2 March 2009

Spherical voids in the stabilized jellium model: Rigorous theorems and Padé representation of the void-formation energy

scientific article published in March 1994

Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters

scientific article published on 3 October 2012

Spin resolution of the electron-gas correlation energy: Positive same spin contributions

scientific article

Spin scaling of the electron-gas correlation energy in the high-density limit

scientific article published on 01 April 1991

Spin-density gradient expansion for the kinetic energy

scientific article

Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals

scientific article published on 01 November 2006

Stabilized jellium: Structureless pseudopotential model for the cohesive and surface properties of metals

scientific article published on 01 December 1990

Stretched or noded orbital densities and self-interaction correction in density functional theory

scientific article published on 01 May 2019

Strictly correlated electrons in density-functional theory

scientific article published in January 1999

Strongly Constrained and Appropriately Normed Semilocal Density Functional

scientific article published on 14 July 2015

Structural phase transitions in Si and SiO2crystals via the random phase approximation

scientific article published on 14 September 2012

Study of the density-gradient expansion for the exchange energy

scientific article published on 15 October 1982

Success of quantum mechanical approximations for molecular geometries and electron–nuclear attraction expectation values: Gift of the Coulomb potential?

scientific article published on 15 April 1986

Surface Energy of Simple Metals: Self-Consistent Inclusion of the Ion Potential

scientific article published on 8 November 1976

Surface Energy of Simple Metals: Self-Consistent Inclusion of the Ion Potential

scientific article published on 13 December 1976

Surface and curvature energies from jellium spheres: Density functional hierarchy and quantum Monte Carlo

scientific article published on 20 August 2002

Surfaces of real metals by the variational self-consistent method

scientific article published on 15 March 1978

Synergy of van der Waals and self-interaction corrections in transition metal monoxides

scientific article published on 6 September 2017

Test of a nonempirical density functional: short-range part of the van der Waals interaction in rare-gas dimers

scientific article published on 01 March 2005

Testing density functionals for structural phase transitions of solids under pressure: Si, SiO2, and Zr

article

Testing the Jacob's ladder of density functionals for electronic structure and magnetism of rutileVO2

scientific article published on 25 August 2014

Tests of a density-based local pseudopotential for sixteen simple metals

scientific article published on 15 June 1997

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

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