Pages that link to "Item:Q1685442"

The following pages link to Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations (Q1685442):

Displaying 8 items.

• Gaussian basis implementation of the charge patching method (Q725444) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← 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)
• A discontinuous Galerkin scheme for full-potential electronic structure calculations (Q2214665) (← links)
• Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← 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)