SPARC

swMATH22290MaRDI QIDQ34083FDOQ34083

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Described by source

• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters

Cited In (8)

• A novel tetrahedral spectral element method for Kohn-Sham model
• A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
• Spectral quadrature for the first principles study of crystal defects: application to magnesium
• Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch
• Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems
• An adaptive wavelet method for solving mixed-integer dynamic optimization problems with discontinuous controls and application to alkali–surfactant–polymer flooding

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