Pages that link to "Item:Q2374018"
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The following pages link to Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018):
Displaying 6 items.
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← links)
- Spectral quadrature for the first principles study of crystal defects: application to magnesium (Q2133799) (← links)
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← links)
- SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140) (← links)
- Massively parallel sparse matrix function calculations with NTPoly (Q6155393) (← links)
