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Theoretical Chemistry Accounts · 2004 · 111 citations · 0 references
Natural SciencesChemistryComputational ChemistryAb Initio MethodsDensity Functional TheoryHartree-fock TheoryMolecular DynamicsAnalytic Energy GradientsHartree-fock ApproximationHartree-fock EnergyHartree-fock ModelPeriodic Hartree-fock