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Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation
Junchao Xia,
Emily A. Carter
Andlinger Center for Energy & the Environment
Chemistry
Mathematics
Mechanical & Aerospace Engineering
Princeton Materials Institute
Research output
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Article
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peer-review
47
Scopus citations
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Dive into the research topics of 'Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation'. Together they form a unique fingerprint.
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Mathematics
Convergence Behavior
7%
Defectives
7%
Density Functional
100%
Energy Density
100%
Generalized Gradient
23%
Localization Function
15%
Numerical Instability
7%
Pointwise
100%
Engineering
Bulk Property
7%
Consistent Calculation
7%
Energy Density Analysis
100%
Energy Electron
7%
Energy Error
7%
Enhancement Factor
7%
Function Analysis
7%
Generalized Gradient Approximation
23%
Kinetic Energy Density
100%
Physics
Density Functional Theory
7%
Flux Density
100%
Generalized Gradient Approximation
21%
Kinetic Energy
100%
Material Science
Density
23%
Energy Density
100%
Functional Modeling
7%
Keyphrases
Density Functional Model
10%
Functional Development
10%