Pages that link to "Item:Q423034"

The following pages link to Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation (Q423034):

Displaying 27 items.

• Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
• Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations (Q348188) (← links)
• Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique (Q356776) (← links)
• An \(h\)-adaptive finite element solver for the calculations of the electronic structures (Q440645) (← links)
• Optimized local basis set for Kohn-Sham density functional theory (Q440653) (← links)
• Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations (Q1685442) (← links)
• A multilevel correction adaptive finite element method for Kohn-Sham equation (Q1700906) (← links)
• Orbital-enriched flat-top partition of unity method for the Schrödinger eigenproblem (Q1986389) (← links)
• An asymptotics-based adaptive finite element method for Kohn-Sham equation (Q2000054) (← links)
• On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation (Q2099726) (← links)
• Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry (Q2105825) (← links)
• A novel tetrahedral spectral element method for Kohn-Sham model (Q2112544) (← links)
• The Wigner function of ground state and one-dimensional numerics (Q2136462) (← links)
• A discontinuous Galerkin scheme for full-potential electronic structure calculations (Q2214665) (← links)
• Localized density matrix minimization and linear-scaling algorithms (Q2375178) (← links)
• New schemes with fractal error compensation for PDE eigenvalue computations (Q2445497) (← 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)
• Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation (Q2696415) (← links)
• Localized spectrum slicing (Q2981780) (← links)
• Adaptive multigrid method for quantum eigenvalue problems (Q6073239) (← links)
• TTDFT: a GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations (Q6097322) (← links)
• A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model (Q6151257) (← links)
• SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140) (← links)
• ELSI: a unified software interface for Kohn-Sham electronic structure solvers (Q6155743) (← links)