Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique
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Publication:356776
DOI10.1007/S10915-012-9636-1zbMATH Open1272.82003OpenAlexW2095908597MaRDI QIDQ356776FDOQ356776
Publication date: 26 July 2013
Published in: Journal of Scientific Computing (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10915-012-9636-1
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finite element methodharmonic mapdensity functional theoryKohn-Sham equationadaptive mesh redistribution
Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Preconditioners for iterative methods (65F08) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50)
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Cited In (23)
- An efficient adaptive mesh redistribution method for nonlinear eigenvalue problems in Bose-Einstein condensates
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
- A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
- Simulation of thin film flows with a moving mesh mixed finite element method
- Second-order Sobolev gradient flows for computing ground state of ultracold Fermi gases
- AFEPack: a general-purpose C++ library for numerical solutions of partial differential equations
- An adaptive FEM with ITP approach for steady Schrödinger equation
- An Adaptive Planewave Method for Electronic Structure Calculations
- An MP-DWR method for \(h\)-adaptive finite element methods
- On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- Adaptive Finite Element Approximations for Kohn--Sham Models
- 科恩-沈方程与含时科恩-沈方程的一个自适应有限元数值方法
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- 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
- An asymptotics-based adaptive finite element method for Kohn-Sham equation
- A multilevel correction adaptive finite element method for Kohn-Sham equation
- Towards Translational Invariance of Total Energy with Finite Element Methods for Kohn-Sham Equation
- A numerical study of 2D detonation waves with adaptive finite volume methods on unstructured grids
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation
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