h-P finite element approximation for full-potential electronic structure calculations
DOI10.1007/978-3-642-41401-5_14zbMATH Open1318.65070OpenAlexW4252999985MaRDI QIDQ5261575FDOQ5261575
Publication date: 6 July 2015
Published in: Partial Differential Equations: Theory, Control and Approximation (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/978-3-642-41401-5_14
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finite element methodnonlinear eigenvalue problemdensity functional theoryelectronic structure calculationHartree-Fock modelKohn-Sham model\(h-P\) version
Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) PDEs in connection with quantum mechanics (35Q40) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)
Cited In (10)
- Finite element approximations for Schrödinger equations with applications to electronic structure computations
- \({h-P}\) finite element approximation for full-potential electronic structure calculations
- Towards chemical accuracy using a multi-mesh adaptive finite element method in all-electron density functional theory
- Exponential convergence in \(H^1\) of \textit{hp}-FEM for Gevrey regularity with isotropic singularities
- On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- FHI-gap: a \(GW\) code based on the all-electron augmented plane wave method
- An insufficient adequacy of node surfaces of multielectron wave functions in the Hartree-Fock approximation
- Finite-element methods in electronic-structure theory
- Finite element approach for density functional theory calculations on locally-refined meshes
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