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

Quantum ScienceEngineeringPhysicsNatural SciencesComputational ChemistryParallel Hartree–fockQuantum ChemistryHybrid Dft CalculationsAb-initio MethodHartree–fock ExchangeMany-body Problem