Pages that link to "Item:Q5230523"

The following pages link to Numerical methods for Kohn–Sham density functional theory (Q5230523):

Displaying 15 items.

• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• The product of two high-frequency graph Laplacian eigenfunctions is smooth (Q2111909) (← links)
• A novel tetrahedral spectral element method for Kohn-Sham model (Q2112544) (← links)
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
• Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks (Q2132596) (← links)
• Constrained high-index saddle dynamics for the solution landscape with equality constraints (Q2148119) (← 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)
• Higher-Order Finite Element Methods for Kohn-Sham Density Functional Theory (Q5051072) (← links)
• A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations (Q5163235) (← links)
• Convergence Analysis of Direct Minimization and Self-Consistent Iterations (Q5857844) (← links)
• An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
• Convergent and Orthogonality Preserving Schemes for Approximating the Kohn-Sham Orbitals (Q5885720) (← links)
• Computing quantum dynamics in the semiclassical regime (Q5887822) (← links)
• An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems (Q6095086) (← links)
• A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory (Q6110105) (← links)