Pages that link to "Item:Q989004"

The following pages link to Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004):

Displaying 50 items.

• A variational framework for spectral approximations of Kohn-Sham density functional theory (Q291818) (← links)
• A singularity-based eigenfunction decomposition for Kohn-Sham equations (Q341330) (← links)
• Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
• Augmented Lagrangian formulation of orbital-free density functional theory (Q349483) (← links)
• A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations (Q356769) (← links)
• Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique (Q356776) (← links)
• A Kohn-Sham equation solver based on hexahedral finite elements (Q417846) (← links)
• Approximation of the electron density of aluminium clusters in tensor-product format (Q419613) (← links)
• An \(h\)-adaptive finite element solver for the calculations of the electronic structures (Q440645) (← links)
• Gradient flows and variational principles for cardiac electrophysiology: toward efficient and robust numerical simulations of the electrical activity of the heart (Q459139) (← links)
• B-splines and NURBS based finite element methods for Kohn-Sham equations (Q503298) (← 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)
• Anderson acceleration of the Jacobi iterative method: an efficient alternative to Krylov methods for large, sparse linear systems (Q729311) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• Chemical compound design using nuclear charge distributions (Q1617573) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
• Geometric discretization of the multidimensional Dirac delta distribution -- application to the Poisson equation with singular source terms (Q1691865) (← links)
• Numerical analysis of finite dimensional approximations of Kohn-Sham models (Q1946518) (← links)
• On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation (Q2099726) (← links)
• A sublinear-scaling approach to density-functional-theory analysis of crystal defects (Q2119163) (← 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)
• Spectral quadrature for the first principles study of crystal defects: application to magnesium (Q2133799) (← 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)
• Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
• Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations (Q2422897) (← links)
• A symmetry-based decomposition approach to eigenvalue problems (Q2441117) (← links)
• Higher-order adaptive finite-element methods for orbital-free density functional theory (Q2446907) (← 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)
• DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744) (← links)
• On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation (Q2952918) (← links)
• An adaptive FEM with ITP approach for steady Schrödinger equation (Q4641524) (← links)
• On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation (Q5162325) (← links)
• A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations (Q5163235) (← links)
• A Cascadic Adaptive Finite Element Method for Nonlinear Eigenvalue Problems in Quantum Physics (Q5222119) (← links)
• Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)
• Multiscale Analysis and Computation for a Stationary Schrödinger--Poisson System in Heterogeneous Nanostructures (Q5251785) (← links)
• Adaptive Finite Element Approximations for Kohn--Sham Models (Q5251794) (← links)
• Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations (Q5254429) (← 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)
• Stochastic algorithms for self-consistent calculations of electronic structures (Q5886872) (← links)
• DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
• Alternating Anderson-Richardson method: an efficient alternative to preconditioned Krylov methods for large, sparse linear systems (Q6043327) (← links)
• A finite element configuration interaction method for Wigner localization (Q6107090) (← links)
• Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory (Q6115295) (← links)