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Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi | Journal of Chemical Theory and Computation
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A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems: The Journal of Chemical Physics: Vol 136, No 15
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PDF] Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ | Semantic Scholar