Chapter 16: Semilocal approximations for the kinetic energy

DOI10.1142/9789814436731_0016MaRDI QIDQ4591482zbMATH OpenOpenAlexFDO

Authors Fabien Tran, Tomasz Adam Wesolowski

Publication date 17 November 2017

Published in Recent Progress in Orbital-free Density Functional Theory (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/9789814436731_0016

zbMATH Keywords

non-interacting kinetic energysemilocal approximation

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) General reference works (handbooks, dictionaries, bibliographies, etc.) pertaining to statistical mechanics (82-00) Quantum equilibrium statistical mechanics (general) (82B10)

Recommendations

• The energy-differences based exact criterion for testing approximations to the functional for the kinetic energy of non-interacting electrons
• Local Density Approximations for the Energy of a Periodic Coulomb Model
• Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts
• Exact inequality involving the kinetic energy functionalT_s[ ] and pairs of electron densities
• Preface

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• Highly accurate machine learning model for kinetic energy density functional
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• Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts
• Quantum Fluctuations, Dequantization, Information Theory and Kinetic-Energy Functionals

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