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Asymptotic properties of the exchange energy density and the exchange potential of finite systems: relevance for generalized gradient approximations

https://doi.org/10.1007/bf01436696
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What this work says

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

inferredcites →https://doi.org/10.1002/qua.560190306openalex-snapshot
Improved lower bound on the indirect Coulomb energy
inferredcites →https://doi.org/10.1007/978-1-4613-0917-8_12openalex-snapshot
Exchange-Only Energy Functionals from Atomic Exchange Energy Densities
inferredcites →https://doi.org/10.1007/978-1-4615-3686-4openalex-snapshot
Condensed Matter Theories
inferredcites →https://doi.org/10.1007/978-1-4684-1890-3openalex-snapshot
Computational Methods in Band Theory
inferredcites →https://doi.org/10.1007/978-1-4684-1890-3_36openalex-snapshot
Approximations of the Exchange and Correlation Potentials
inferredcites →https://doi.org/10.1016/0092-640x(78)90019-0openalex-snapshot
Optimized central potentials for atomic ground-state wavefunctions
inferredcites →https://doi.org/10.1016/0375-9601(90)90975-topenalex-snapshot
Derivation and application of an accurate Kohn-Sham potential with integer discontinuity
inferredcites →https://doi.org/10.1016/b978-0-12-817790-7.00016-0openalex-snapshot
Electronic structure of solids
inferredcites →https://doi.org/10.1063/1.448229openalex-snapshot
Density-determined orthonormal orbital approach to atomic energy functionalsa)
inferredcites →https://doi.org/10.1063/1.450025openalex-snapshot
Density functional calculations of molecular bond energies
inferredcites →https://doi.org/10.1063/1.452230openalex-snapshot
Rational function representation for accurate exchange energy functionals
inferredcites →https://doi.org/10.1103/physrev.136.b864openalex-snapshot
Inhomogeneous Electron Gas
inferredcites →https://doi.org/10.1103/physrev.90.317openalex-snapshot
A Variational Approach to the Unipotential Many-Electron Problem
inferredcites →https://doi.org/10.1103/physreva.14.36openalex-snapshot
Optimized effective atomic central potential
inferredcites →https://doi.org/10.1103/physreva.26.1200openalex-snapshot
Electron densities in search of Hamiltonians
inferredcites →https://doi.org/10.1103/physreva.30.2745openalex-snapshot
Exact differential equation for the density and ionization energy of a many-particle system
inferredcites →https://doi.org/10.1103/physreva.32.2010openalex-snapshot
Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms
inferredcites →https://doi.org/10.1103/physreva.36.5077openalex-snapshot
Asymptotic formula far from nucleus for exchange energy density in Hartree-Fock theory of closed-shell atoms
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physreva.40.6084openalex-snapshot
Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory
inferredcites →https://doi.org/10.1103/physreva.41.78openalex-snapshot
Exchange potentials in density-functional theory
inferredcites →https://doi.org/10.1103/physreva.43.5121openalex-snapshot
Self-consistency test for the exchange-only Kohn-Sham potential
inferredcites →https://doi.org/10.1103/physreva.44.1536openalex-snapshot
Exchange-energy density functional: Reparametrization of Becke’s formula and derivation of second-order gradient correction
inferredcites →https://doi.org/10.1103/physreva.44.768openalex-snapshot
Conjoint gradient correction to the Hartree-Fock kinetic- and exchange-energy density functionals
inferredcites →https://doi.org/10.1103/physrevb.13.4274openalex-snapshot
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
inferredcites →https://doi.org/10.1103/physrevb.26.4371openalex-snapshot
Study of the density-gradient expansion for the exchange energy
inferredcites →https://doi.org/10.1103/physrevb.28.1809openalex-snapshot
Beyond the local-density approximation in calculations of ground-state electronic properties
inferredcites →https://doi.org/10.1103/physrevb.31.3231openalex-snapshot
Exact results for the charge and spin densities, exchange-correlation potentials, and density-functional eigenvalues
inferredcites →https://doi.org/10.1103/physrevb.31.6779openalex-snapshot
Kohn-Sham exchange potential exact to first order in ρ(K→)/ ρ0
inferredcites →https://doi.org/10.1103/physrevb.32.3876openalex-snapshot
Exchange and correlation in density-functional theory
inferredcites →https://doi.org/10.1103/physrevb.33.8800openalex-snapshot
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
inferredcites →https://doi.org/10.1103/physrevb.37.4634openalex-snapshot
Gradient expansion of the exchange-energy density functional: Effect of taking limits in the wrong order
inferredcites →https://doi.org/10.1103/physrevb.43.11628openalex-snapshot
Gradient-corrected density functionals: Full-potential calculations for iron
inferredcites →https://doi.org/10.1103/physrevb.43.1399openalex-snapshot
Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method
inferredcites →https://doi.org/10.1103/physrevb.43.6376openalex-snapshot
Pseudopotentials for non-local-density functionals
inferredcites →https://doi.org/10.1103/physrevb.44.2923openalex-snapshot
Ground-state properties of Fe, Co, Ni, and their monoxides: Results of the generalized gradient approximation
inferredcites →https://doi.org/10.1103/physrevlett.22.807openalex-snapshot
Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems
inferredcites →https://doi.org/10.1103/physrevlett.59.1285openalex-snapshot
Energies of atoms with nonspherical charge densities calculated with nonlocal density-functional theory
inferredcites →https://doi.org/10.1103/physrevlett.62.489openalex-snapshot
Quantum-Mechanical Interpretation of the Exchange-Correlation Potential of Kohn-Sham Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.65.1036openalex-snapshot
Theorem for exact local exchange potential
inferredcites →https://doi.org/10.1103/physrevlett.65.276openalex-snapshot
Comment on ‘‘Quantum-mechanical interpretation of the exchange-correlation potential of Kohn-Sham density-functional theory’’
inferredcites →https://doi.org/10.1103/revmodphys.53.603openalex-snapshot
Thomas-fermi and related theories of atoms and molecules

What points at this work

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

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Comparison shopping for a gradient-corrected density functional
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Ionization potentials of atoms calculated with a nonlocal exchange and a local correlation functional
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Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions
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Towards New Approximations for The Exchange-Correlation Functional Using Many-Body Perturbation Theory
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Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory
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Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory
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Do fractionally incremented nuclear charges improve time-dependent density functional theory excitation energies as reliably as fractional orbital populations?
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Density-functional theory using an optimized exchange-correlation potential
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Exchange energy functional from a Pauli correlationfactor model
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Progress in the development of exchange-correlation functionals
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Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen–Baerends-type functionals
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Temperature effects in static and dynamic polarizabilities from distinct generalized gradient approximation exchange-correlation functionals
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Tests of a density functional with Laplacian terms: activation barriers and bond-stretching energies
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Density functional. Theory and application to atoms and molecules
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Semilocal density functionals for exchange and correlation: Theory and applications
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Low-Order Scaling G 0 W 0 by Pair Atomic Density Fitting
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Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme
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Improved TDDFT Excitation Energies with an Accurate Kohn–Sham Potential: Reassessment of the Double-Excitation Character of the Low Lying 2 1 A g Excited State of s-Trans-1,3-Butadiene
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Improvements in DFT Calculations of Spin–Spin Coupling Constants
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Density functional study of phosphorus and arsenic clusters using local and nonlocal energy functionals
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Improved density functional theory results for frequency-dependent polarizabilities, by the use of an exchange-correlation potential with correct asymptotic behavior
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Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations
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Exact exchange plane-wave-pseudopotential calculations for slabs
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Perspective: Fifty years of density-functional theory in chemical physics
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Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
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Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies
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On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies
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Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response
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Analysis of the kinetic energy functional in the generalized gradient approximation
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A new gradient-corrected exchange-correlation density functional
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Exchange energy from Gaussian-type basis sets
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Improved Becke88 and PW91 exchange potentials
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A parametrized optimized effective potential for atoms
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Relativistic density functional theory with finite-light-speed correction for the Coulomb interaction: a non-relativistic-reduction-based approach
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Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids
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First-principle calculation of hydrogen adsorption on the surface of Ni3Al (110)
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Tackling the one-electron self-interaction error within the semilocal density functional framework
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Accurate optimized-potential-model solutions for spherical spin-polarized atoms: Evidence for limitations of the exchange-only local spin-density and generalized-gradient approximations
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Exchange-correlation potential with correct asymptotic behavior
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Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series
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Alternative form of the linear-response contribution to the exchange-correlation energy functional
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Self-consistent approximation to the Kohn-Sham exchange potential
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Gradient-corrected exchange potential with the correct asymptotic behavior and the corresponding exchange-energy functional obtained from the virial theorem
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Generalized gradient approximation for the relativistic exchange-only energy functional
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Generalized gradient correction for exchange: Deduction from the oscillator model
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Natural variables for density functionals
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Approximate relativistic optimized potential method
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Exchange-correlation density functional beyond the gradient approximation
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Influence of electronic exchange on single and multiple processes in collisions between bare ions and noble-gas atoms
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Relativistic optimized-potential method: Exact transverse exchange and Møller-Plesset-based correlation potential
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Density-functional-theory calculations of the total energies, ionization potentials, and optical response properties with the van Leeuwen–Baerends potential
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Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives
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Towards nonlocal density functionals by explicit modeling of the exchange-correlation hole in inhomogeneous systems
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Generalized gradient approximations with local parameters
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Conditional probability density functional theory
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Exact exchange-only potentials and the virial relation as microscopic criteria for generalized gradient approximations
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Fourth-order gradient corrections to the exchange-only energy functional: Importance of ∇2 ncontributions
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All-electron local-density and generalized-gradient calculations of the structural properties of semiconductors
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Weighted-density approximation in metals and semiconductors
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Analytic second variational derivative of the exchange-correlation functional
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Asymptotic behavior of exact exchange potential of slabs
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Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals
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Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method
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Semilocal density functional theory with correct surface asymptotics
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Orbital nodal surfaces: Topological challenges for density functionals
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Dispersion-corrected PBEsol exchange-correlation functional
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Correlation energy functionals from adiabatic connection formalism
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Time-Dependent Optimized Effective Potential
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Polarization Dependence of the Exchange Energy
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Investigation of the Correlation Potential from Kohn-Sham Perturbation Theory
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The physics of simple metal clusters: self-consistent jellium model and semiclassical approaches
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RETRACTED ARTICLE: Quasi-dimensional models applied to kinetic and exchange energy density functionals
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Development of New Density Functional Approximations
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