Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique
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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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Cites work
- scientific article; zbMATH DE number 1484345 (Why is no real title available?)
- scientific article; zbMATH DE number 2152898 (Why is no real title available?)
- scientific article; zbMATH DE number 5049170 (Why is no real title available?)
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- Deterministic joint remote preparation of an arbitrary qubit via Einstein-Podolsky-Rosen pairs
- Efficient computation of dendritic growth with \(r\)-adaptive finite element methods
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
- Harmonic maps of manifolds with boundary
- Moving mesh methods in multiple dimensions based on harmonic maps
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- On the Convergence of the Self-Consistent Field Iteration for a Class of Nonlinear Eigenvalue Problems
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Cited in
(25)- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model
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- An \(h\)-adaptive finite element solver for the calculations of the electronic structures
- An adaptive FEM with ITP approach for steady Schrödinger equation
- An SAV Method for Imaginary Time Gradient Flow Model in Density Functional Theory
- An efficient adaptive mesh redistribution method for nonlinear eigenvalue problems in Bose-Einstein condensates
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- 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
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
- Towards Translational Invariance of Total Energy with Finite Element Methods for Kohn-Sham Equation
- Towards chemical accuracy using a multi-mesh adaptive finite element method in all-electron density functional theory
- A numerical study of 2D detonation waves with adaptive finite volume methods on unstructured grids
- An adaptive planewave method for electronic structure calculations
- Simulation of thin film flows with a moving mesh mixed finite element method
- On stabilizing and accelerating SCF using ITP in solving Kohn-Sham equation
- An asymptotics-based adaptive finite element method for Kohn-Sham equation
- A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory
- 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
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- An MP-DWR method for \(h\)-adaptive finite element methods
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- Adaptive Finite Element Approximations for Kohn--Sham Models
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
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