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Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Statistical atom: Some quantum improvements
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Orbital-free kinetic-energy functionals for first-principles molecular dynamics
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Kinetic-energy functionals studied by surface calculations
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Functional designed to include surface effects in self-consistent density functional theory
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Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
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Semiclassical Neutral Atom as a Reference System in Density Functional Theory
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Erratum: “Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density” [J. Chem. Phys. 148, 241705 (2018)]
inferred← citeshttps://doi.org/10.1063/1.5051455openalex-snapshot
Constructing a non-additive non-interacting kinetic energy functional approximation for covalent bonds from exact conditions
inferred← citeshttps://doi.org/10.1063/1.5095072openalex-snapshot
Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionals
inferred← citeshttps://doi.org/10.1063/1.5107479openalex-snapshot
OH radical in water from ab initio molecular dynamics simulation employing hybrid functionals
inferred← citeshttps://doi.org/10.1063/5.0040973openalex-snapshot
Analysis of the kinetic energy functional in the generalized gradient approximation
inferred← citeshttps://doi.org/10.1063/5.0100393openalex-snapshot
Pushing the limits: Efficient wavefunction methods for excited states in complex systems using frozen-density embedding
inferred← citeshttps://doi.org/10.1063/5.0100797openalex-snapshot
Orbital-free methods for plasmonics: Linear response
inferred← citeshttps://doi.org/10.1063/5.0122671openalex-snapshot
A variational formulation of the Harris functional as a correction to approximate Kohn–Sham density functional theory
inferred← citeshttps://doi.org/10.1063/5.0349436openalex-snapshot
The bi-functional for the non-additive kinetic potential at dissociation
inferred← citeshttps://doi.org/10.1080/00268976.2016.1246757openalex-snapshot
Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms
inferred← citeshttps://doi.org/10.1088/0953-8984/27/49/495501openalex-snapshot
Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zone
inferred← citeshttps://doi.org/10.1088/1742-6596/707/1/012011openalex-snapshot
Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant
inferred← citeshttps://doi.org/10.1088/2516-1075/ae55ecopenalex-snapshot
Kinetic energy density functional: advances, challenges, and future directions
inferred← citeshttps://doi.org/10.1088/2516-1075/ae9ae4openalex-snapshot
Assessing the suitability of the Thomas–Fermi– λ von Weizsäcker density functional for itinerant magnetism
inferred← citeshttps://doi.org/10.1103/b9fg-k8tmopenalex-snapshot
Pseudopotentials for orbital-free DFT: Capturing nonlocality and correcting functional approximants
inferred← citeshttps://doi.org/10.1103/physreva.87.012511openalex-snapshot
Relevance of coordinate and particle-number scaling in density-functional theory
inferred← citeshttps://doi.org/10.1103/physrevb.100.205132openalex-snapshot
Nonlocal kinetic energy density functional via line integrals and its application to orbital-free density functional theory
inferred← citeshttps://doi.org/10.1103/physrevb.101.045110openalex-snapshot
Nonlocal kinetic energy density functionals for isolated systems obtained via local density approximation kernels
inferred← citeshttps://doi.org/10.1103/physrevb.101.165144openalex-snapshot
Methods to generate reference total and Pauli kinetic potentials
inferred← citeshttps://doi.org/10.1103/physrevb.103.155127openalex-snapshot
Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals
inferred← citeshttps://doi.org/10.1103/physrevb.104.235110openalex-snapshot
Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory
inferred← citeshttps://doi.org/10.1103/physrevb.106.115153openalex-snapshot
Efficient time-dependent orbital-free density functional theory: Semilocal adiabatic response
inferred← citeshttps://doi.org/10.1103/physrevb.111.125133openalex-snapshot
Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations
inferred← citeshttps://doi.org/10.1103/physrevb.88.125112openalex-snapshot
Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals
inferred← citeshttps://doi.org/10.1103/physrevb.91.035126openalex-snapshot
Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals
inferred← citeshttps://doi.org/10.1103/physrevb.95.115153openalex-snapshot
Jellium-with-gap model applied to semilocal kinetic functionals
inferred← citeshttps://doi.org/10.1103/physrevb.95.245434openalex-snapshot
Current-dependent potential for nonlocal absorption in quantum hydrodynamic theory
inferred← citeshttps://doi.org/10.1103/physrevb.97.205137openalex-snapshot
Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory
inferred← citeshttps://doi.org/10.1140/epjb/e2018-90145-2openalex-snapshot
Dissecting energy level renormalization and polarizability enhancement of molecules at surfaces with subsystem TDDFT
inferred← citeshttps://doi.org/10.1142/s0129183122500449openalex-snapshot
Development of novel kinetic energy functional for orbital-free density functional theory applications
inferred← citeshttps://doi.org/10.11648/j.ijssam.20240902.12openalex-snapshot
New Functional Orbital-free Within DFT for Metallic Systems
inferred← citeshttps://doi.org/10.3390/books978-3-0365-4973-6openalex-snapshot
Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
inferred← citeshttps://doi.org/10.3390/computation10020030openalex-snapshot
Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives
inferred← citeshttps://doi.org/10.3390/computation4020019openalex-snapshot
Kinetic and Exchange Energy Densities near the Nucleus
inferred← citeshttps://doi.org/10.3390/computation7040065openalex-snapshot
The Role of the Reduced Laplacian Renormalization in the Kinetic Energy Functional Development
inferred← citeshttps://doi.org/10.48550/arxiv.1910.07359openalex-snapshot
Ab-initio structure and dynamics of supercritical CO2
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