A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory

DOI10.4208/eajam.2022-134.081022zbMath1514.65172OpenAlexW4366590250MaRDI QIDQ6110105

Unnamed Author, Unnamed Author, Guanghui Hu

Publication date: 4 July 2023

Published in: Unnamed Author (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4208/eajam.2022-134.081022

zbMATH Keywords

adaptive strategystructure-preservingKohn-Sham density functional theorylinear schemegradient flow model

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Simulation of dynamical systems (37M05)

Related Items (1)

A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model

Cites Work

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