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Kohn–Sham potentials by an inverse Kohn–Sham equation and accuracy assessment by virial theorem
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Exact exchange?correlation potential from low-order density matrices
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Alternative Representations of the Correlation Energy in Density‐Functional Theory: A Kinetic‐Energy Based Adiabatic Connection
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Density functionals for coulomb systems
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The exact one‐electron model of molecular structure
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The Constrained Search Formulation of Density Functional Theory
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Equation for the direct determination of the density matrix: Time-dependent density equation and perturbation theory
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Density-functional theory of atoms and molecules
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The local potential determining the square root of the ground-state electron density of atoms and molecules from the Schrödinger equation
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Numerical aspects of real-space approaches to strong-field electron dynamics
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Status and Challenges of Density Functional Theory
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Solving Kohn–Sham equations
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Inverse Kohn–Sham Density Functional Theory: Progress and Challenges
inferredcites →https://doi.org/10.1021/ct800514zopenalex-snapshot
Reconstruction of Density Functionals from Kohn−Sham Potentials by Integration along Density Scaling Paths
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Reference electronic structure calculations in one dimension
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A direct optimization method for calculating density functionals and exchange–correlation potentials from electron densities
inferredcites →https://doi.org/10.1063/1.447639openalex-snapshot
The density matrix, density, and Fermi hole in Hartree–Fock theory
inferredcites →https://doi.org/10.1063/1.465093openalex-snapshot
Constrained-search method to determine electronic wave functions from electronic densities
inferredcites →https://doi.org/10.1063/1.468024openalex-snapshot
Analysis of electron interaction and atomic shell structure in terms of local potentials
inferredcites →https://doi.org/10.1063/1.4704546openalex-snapshot
Perspective on density functional theory
inferredcites →https://doi.org/10.1063/1.471602openalex-snapshot
Molecular exchange-correlation Kohn–Sham potential and energy density from ab initio first- and second-order density matrices: Examples for XH (X=Li, B, F)
inferredcites →https://doi.org/10.1063/1.4937943openalex-snapshot
Kohn–Sham exchange-correlation potentials from second-order reduced density matrices
inferredcites →https://doi.org/10.1063/1.4958622openalex-snapshot
Comment on “Kohn-Sham exchange-correlation potentials from second-order reduced density matrices” [J. Chem. Phys. 143, 244116 (2015)]
inferredcites →https://doi.org/10.1063/1.4958623openalex-snapshot
Response to “Comment on ‘Kohn–Sham exchange-correlation potentials from second-order reduced density matrices’” [J. Chem. Phys. 145, 037101 (2016)]
inferredcites →https://doi.org/10.1073/pnas.76.12.6062openalex-snapshot
Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problem
inferredcites →https://doi.org/10.1080/00268976.2015.1131861openalex-snapshot
Exact expressions for the Kohn–Sham exchange-correlation potential in terms of wave-function-based quantities
inferredcites →https://doi.org/10.1080/00268976.2018.1463470openalex-snapshot
Contracted Schrödinger equation and Kohn–Sham effective potentials
inferredcites →https://doi.org/10.1088/1361-6455/ab9768openalex-snapshot
Accurate effective potential for density amplitude and the corresponding Kohn–Sham exchange–correlation potential calculated from approximate wavefunctions
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The virial theorem and its application to the spectral theory of Schrödinger operators
inferredcites →https://doi.org/10.1093/acprof:oso/9780199563029.001.0001openalex-snapshot
Time-Dependent Density-Functional Theory: Concepts and Applications
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
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Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
inferredcites →https://doi.org/10.1103/physreva.13.927openalex-snapshot
Hierarchy equations for reduced density matrices
inferredcites →https://doi.org/10.1103/physreva.14.41openalex-snapshot
Equation for the direct determination of the density matrix
inferredcites →https://doi.org/10.1103/physreva.29.2322openalex-snapshot
Density-functional exchange-correlation potentials and orbital eigenvalues for light atoms
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.31.3231openalex-snapshot
Exact time evolution of a classical harmonic-oscillator chain
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.38.3430openalex-snapshot
Numerical simulations of multiphoton ionization and above-threshold electron spectra
inferredcites →https://doi.org/10.1103/physreva.40.4190openalex-snapshot
Analysis of correlation in terms of exact local potentials: Applications to two-electron systems
inferredcites →https://doi.org/10.1103/physreva.47.971openalex-snapshot
Approximatingq-order reduced density matrices in terms of the lower-order ones. I. General relations
inferredcites →https://doi.org/10.1103/physreva.49.2421openalex-snapshot
Exchange-correlation potential with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physreva.50.196openalex-snapshot
Exact Kohn-Sham scheme based on perturbation theory
inferredcites →https://doi.org/10.1103/physreva.50.2138openalex-snapshot
From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies
inferredcites →https://doi.org/10.1103/physreva.51.170openalex-snapshot
Energy expressions in density-functional theory using line integrals
inferredcites →https://doi.org/10.1103/physreva.57.4219openalex-snapshot
Contracted Schrödinger equation: Determining quantum energies and two-particle density matrices without wave functions
inferredcites →https://doi.org/10.1103/physrevb.34.4401openalex-snapshot
Density-functional theory for two noninteracting spinless fermions
inferredcites →https://doi.org/10.1103/physrevb.38.2974openalex-snapshot
Effective potentials in density-functional theory
inferredcites →https://doi.org/10.1103/physrevb.47.13105openalex-snapshot
Correlation-energy functional and its high-density limit obtained from a coupling-constant perturbation expansion
inferredcites →https://doi.org/10.1103/physrevlett.100.153004openalex-snapshot
Adiabatic Approximation in Nonperturbative Time-Dependent Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.111.093003openalex-snapshot
Guaranteed Convergence of the Kohn-Sham Equations
inferredcites →https://doi.org/10.1103/physrevlett.113.113002openalex-snapshot
Ground-State Energy as a Simple Sum of Orbital Energies in Kohn-Sham Theory: A Shift in Perspective through a Shift in Potential
inferredcites →https://doi.org/10.1103/physrevlett.115.083001openalex-snapshot
Reduction of Electronic Wave Functions to Kohn-Sham Effective Potentials
inferredcites →https://doi.org/10.1103/physrevlett.74.3233openalex-snapshot
Center of Mass and Relative Motion in Time Dependent Density Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.82.378openalex-snapshot
Several Theorems in Time-Dependent Density Functional Theory
inferredcites →https://doi.org/10.1126/science.aah5975openalex-snapshot
Density functional theory is straying from the path toward the exact functional
inferredcites →https://doi.org/10.1126/science.aam9364openalex-snapshot
Comment on “Density functional theory is straying from the path toward the exact functional”
inferredcites →https://doi.org/10.1126/science.aam9550openalex-snapshot
Response to Comment on “Density functional theory is straying from the path toward the exact functional”
inferredcites →https://doi.org/10.2466/pr0.11.5.19-22openalex-snapshot
ANXIETY, INTELLIGENCE, AND SCHOLASTIC ACHIEVEMENT IN ELEMENTARY SCHOOL CHILDREN
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Computations on Platinum Based Ternary Ferromagnetic Half Metals for Spin Valve Diodes and Green Energy Technology Based Thermoelectrics
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Computations on platinum based ternary ferromagnetic half metals for spin valve diodes and green energy technology based thermoelectric
inferred← citeshttps://doi.org/10.7566/jpsj.94.074303openalex-snapshot
A Rigorous Expression of the Hohenberg–Kohn Universal Energy Functional Based on the Analysis of the Spatial Scaling Property of the Kohn–Sham Potential
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