ClusterES
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Related Items (10)
Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes ⋮ Fast solution of Schrödinger's equation using linear combinations of plane waves ⋮ A block Chebyshev-Davidson method for linear response eigenvalue problems ⋮ Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods ⋮ Computation of Real-Valued Basis Functions which Transform as Irreducible Representations of the Polyhedral Groups ⋮ Gaussian basis implementation of the charge patching method ⋮ Phase transformations and compatibility in helical structures ⋮ NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations ⋮ A novel tetrahedral spectral element method for Kohn-Sham model ⋮ Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
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