Finite Element Approximations in Orbital-Free Density Functional Theory

DOI10.1142/9789814436731_0008zbMath1378.82006OpenAlexW2479895125MaRDI QIDQ4591471

Huajie Chen, Aihui Zhou

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_0008

zbMATH Keywords

finite element methodlinear eigenvalue problemorbital-free density functional theoryThomas-Fermi-Hohenberg-Kohn (TF-HK) equation

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Quantum equilibrium statistical mechanics (general) (82B10) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Methods of reduced gradient type (90C52) Integro-partial differential equations (35R09) PDEs in connection with statistical mechanics (35Q82)

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