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Regularized Gradient Expansion for Atoms, Molecules, and Solids

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Improved lower bound on the indirect Coulomb energy

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A Primer in Density Functional Theory

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Response Functions and Nonlocal Approximations

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

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Small Representative Benchmarks for Thermochemical Calculations

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Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional

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

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Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound

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A novel form for the exchange-correlation energy functional

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

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Kohn-Sham exchange potential exact to first order in ρ(K→)/ ρ0

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

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Gradient expansion of the exchange energy from second-order density response theory

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Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations

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

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Functional designed to include surface effects in self-consistent density functional theory

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

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

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Generalized Gradient Approximation Made Simple

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Relevance of the Slowly Varying Electron Gas to Atoms, Molecules, and Solids

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Phase Diagrams of the Elements

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Testing the broad applicability of the PBEint GGA functional and its one‐parameter hybrid form

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Laplacian‐based models for the exchange energy

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Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation

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Electron Density Errors and Density-Driven Exchange-Correlation Energy Errors in Approximate Density Functional Calculations

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Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional

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Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation

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Global Hybrid Functionals: A Look at the Engine under the Hood

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Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor

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Exchange–Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its Gradient

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Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

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Correlation energy functional from jellium surface analysis

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Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis

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Semiclassical atom theory applied to solid-state physics

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Ab initio prediction of crystalline phases and electronic properties of alloys and other compounds

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