ClusterES
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Cited in
(22)- Computation of real-valued basis functions which transform as irreducible representations of the polyhedral groups
- A novel tetrahedral spectral element method for Kohn-Sham model
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
- Gaussian basis implementation of the charge patching method
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- ABINIT
- EMan
- quadgk
- Lightspeed
- PARSEC
- CASTEP
- RESCU
- CheFSI
- SPARC
- CRYSTAL
- Dalton
- DFT-FE
- Fast solution of Schrödinger's equation using linear combinations of plane waves
- A block Chebyshev-Davidson method for linear response eigenvalue problems
- Phase transformations and compatibility in helical structures
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
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