Pages that link to "Item:Q729423"
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The following pages link to Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423):
Displaying 21 items.
- Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631) (← links)
- Augmented Lagrangian formulation of orbital-free density functional theory (Q349483) (← links)
- Finite-temperature orbital-free DFT molecular dynamics: coupling profess and quantum espresso (Q525743) (← links)
- Introducing \texttt{PROFESS 2.0}: a parallelized, fully linear scaling program for orbital-free density functional theory calculations (Q546816) (← links)
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
- Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
- Linear-scaling parallel algorithms for the first principles treatment of metals (Q1578125) (← links)
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
- A novel tetrahedral spectral element method for Kohn-Sham model (Q2112544) (← links)
- Spectral quadrature for the first principles study of crystal defects: application to magnesium (Q2133799) (← links)
- ATLAS: a real-space finite-difference implementation of orbital-free density functional theory (Q2374017) (← links)
- Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018) (← links)
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
- Higher-order adaptive finite-element methods for orbital-free density functional theory (Q2446907) (← links)
- (Q3538692) (← links)
- A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations (Q5163235) (← links)
- Alternating Anderson-Richardson method: an efficient alternative to preconditioned Krylov methods for large, sparse linear systems (Q6043327) (← links)
- Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor (Q6081461) (← links)
- A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms (Q6113164) (← links)
- Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory (Q6115295) (← links)
- SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140) (← links)
