An Implicit Solver for the Time-Dependent Kohn-Sham Equation

DOI10.4208/nmtma.OA-2020-0040zbMath1488.65400OpenAlexW3107992684MaRDI QIDQ5153429

Guanghui Hu, Zhicheng Hu, Yedan Shen, Lei Yang

Publication date: 29 September 2021

Published in: Numerical Mathematics: Theory, Methods and Applications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4208/nmtma.oa-2020-0040

zbMATH Keywords

finite element methodsimplicit midpoint scheme\(h\)-adaptive mesh methodscomplex-valued algebraic multigrid methodstime-dependent Kohn-Sham equation

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) NLS equations (nonlinear Schrödinger equations) (35Q55) Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Parallel numerical computation (65Y05) Multigrid methods; domain decomposition for initial value and initial-boundary value problems involving PDEs (65M55) Mesh generation, refinement, and adaptive methods for the numerical solution of initial value and initial-boundary value problems involving PDEs (65M50)

Related Items (3)

Convergent and Orthogonality Preserving Schemes for Approximating the Kohn-Sham Orbitals ⋮ An SAV Method for Imaginary Time Gradient Flow Model in Density Functional Theory ⋮ A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory

This page was built for publication: An Implicit Solver for the Time-Dependent Kohn-Sham Equation