Pages that link to "Item:Q348135"

The following pages link to Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135):

Displaying 44 items.

• A singularity-based eigenfunction decomposition for Kohn-Sham equations (Q341330) (← links)
• A mesh-free convex approximation scheme for Kohn-sham density functional theory (Q550951) (← links)
• Real-time adaptive finite element solution of time-dependent Kohn-Sham equation (Q728808) (← links)
• A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
• Grid-based electronic structure calculations: the tensor decomposition approach (Q729516) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• A posteriori error estimator for adaptive local basis functions to solve Kohn-Sham density functional theory (Q902305) (← links)
• The reduced basis method in all-electron calculations with finite elements (Q904237) (← links)
• Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
• The spectral-Galerkin approximation of nonlinear eigenvalue problems (Q1635484) (← links)
• Geometric discretization of the multidimensional Dirac delta distribution -- application to the Poisson equation with singular source terms (Q1691865) (← links)
• A multilevel correction adaptive finite element method for Kohn-Sham equation (Q1700906) (← links)
• Isogeometric analysis in electronic structure calculations (Q1997004) (← links)
• An asymptotics-based adaptive finite element method for Kohn-Sham equation (Q2000054) (← links)
• Complex-valued derivative propagation method with adaptive moving grids for electronic nonadiabatic dynamics (Q2080995) (← links)
• On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation (Q2099726) (← links)
• A novel tetrahedral spectral element method for Kohn-Sham model (Q2112544) (← links)
• Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← links)
• Large scale \textit{ab-initio} simulations of dislocations (Q2122748) (← links)
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
• A parallel orbital-updating based optimization method for electronic structure calculations (Q2133051) (← links)
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← links)
• A non-perturbative approach to computing seismic normal modes in rotating planets (Q2148132) (← links)
• Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (Q2246291) (← links)
• More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT (Q2312100) (← links)
• Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations (Q2422897) (← links)
• \({h-P}\) finite element approximation for full-potential electronic structure calculations (Q2448455) (← links)
• Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← links)
• Hybrid finite element/multipole expansion method for atomic Kohn-Sham density functional theory calculations (Q2692436) (← links)
• DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744) (← links)
• QM/MM methods for crystalline defects. I: Locality of the tight binding model (Q2806407) (← links)
• 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 (Q3381672) (← links)
• An Adaptive Multiscale Approach for Electronic Structure Methods (Q4643816) (← links)
• Eigenfunction behavior and adaptive finite element approximations of nonlinear eigenvalue problems in quantum physics (Q5006305) (← links)
• Higher-Order Finite Element Methods for Kohn-Sham Density Functional Theory (Q5051072) (← links)
• On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation (Q5162325) (← links)
• A Cascadic Adaptive Finite Element Method for Nonlinear Eigenvalue Problems in Quantum Physics (Q5222119) (← links)
• Adaptive Finite Element Approximations for Kohn--Sham Models (Q5251794) (← links)
• An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
• An Adaptive Planewave Method for Electronic Structure Calculations (Q5865252) (← links)
• DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
• TTDFT: a GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations (Q6097322) (← links)
• Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory (Q6115295) (← links)
• Towards chemical accuracy using a multi-mesh adaptive finite element method in all-electron density functional theory (Q6615712) (← links)