A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components – topic of research paper in Chemical sciences. Download scholarly article
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Model for the fast estimation of basis set superposition error in biomolecular systems: The Journal of Chemical Physics: Vol 135, No 14
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1 Hartree-Fock Theory. 2 The orbitalar approach Mulliken (1,….N) = i i (i) Slater Combination of Slater determinants Pauli principle Solutions for. - ppt download
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Basis set superposition error (BSSE) — Tutorials 2022.1 documentation
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DFT-D and basis-set superposition error | QuantumATK T-2022.03 Documentation