Pages that link to "Item:Q729158"

The following pages link to A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158):

Displaying 15 items.

• ClusterES (Q30154) (← links)
• A block Chebyshev-Davidson method for linear response eigenvalue problems (Q503482) (← links)
• Gaussian basis implementation of the charge patching method (Q725444) (← links)
• Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials (Q729092) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• Fast solution of Schrödinger's equation using linear combinations of plane waves (Q1672700) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
• Phase transformations and compatibility in helical structures (Q2075609) (← 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)
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← 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)
• A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations (Q5163235) (← links)
• Computation of Real-Valued Basis Functions which Transform as Irreducible Representations of the Polyhedral Groups (Q5165442) (← links)
• Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves (Q6202134) (← links)