swMATH22461MaRDI QIDQ34253FDOQ34253
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Official website: https://dl.acm.org/citation.cfm?id=2657711
Cited In (36)
- Numerical methods for Kohn–Sham density functional theory
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory
- More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
- DGDFT
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- ABINIT
- SIESTA
- Quantum Espresso
- Libxc
- OCTOPUS
- BigDFT
- quadgk
- Lightspeed
- fhi98PP
- PARSEC
- CASTEP
- ClusterES
- RESCU
- a-TRLan
- SPARC
- lobpcg.m
- CRYSTAL
- ElaStic
- ELSI
- DFT-FE
- Accelerating large partial EVD/SVD calculations by filtered block Davidson methods
- Globally constructed adaptive local basis set for spectral projectors of second order differential operators
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems
- A spectral scheme for Kohn-Sham density functional theory of clusters
- RESCU: a real space electronic structure method
- A block Chebyshev-Davidson method for linear response eigenvalue problems
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters
- The eigenvalues slicing library (EVSL): algorithms, implementation, and software
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