Accurate Computation of the Non-Interacting Kinetic Energy from Electron Densities

DOI10.1142/9789814436731_0002zbMath1378.82005OpenAlexW2504785036MaRDI QIDQ4591460

Felipe A. Bulat, Weitao Yang

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_0002

zbMATH Keywords

density functional theoryKohn-Sham equationKohn-Sham kinetic energy functionalWu-Yang method

Mathematics Subject Classification ID

Newton-type methods (49M15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) Quantum equilibrium statistical mechanics (general) (82B10) Variational principles of physics (49S05)

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