articleChemical PhysicsNov 7, 2008Closed access

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

FNFrank NeeseFWFrank WennmohsAHAndreas HansenUBUte Becker

University of Bonn · Max Planck Society

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Topics
Keywords
  • Hartree–Fock method
  • Chemistry
  • Realization (probability)
  • Basis set
  • Basis (linear algebra)
  • Coulomb
  • Scaling
  • Hybrid functional
UN Sustainable Development Goals
  • Affordable and clean energy
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