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 13 items.
- A scalable and accurate algorithm for the computation of Hartree-Fock exchange (Q615152) (← links)
- Efficient first-principles calculations of the electronic structure of periodic systems (Q710174) (← links)
- Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials (Q729092) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
- A semi-analytical solution of the mean spherical approximation: application to calculation of structure factors of liquid metals in the square-well model (Q1048399) (← links)
- SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
- A sublinear-scaling approach to density-functional-theory analysis of crystal defects (Q2119163) (← links)
- 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)
