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The top documents tagged [exact hydrogenic orbitals]
Basis Sets and Performance (Lecture 3) NSF Computational Nanotechnology and Molecular Engineering Pan-American Advanced Studies Institutes (PASI) Workshop
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Basis Sets
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Basis Sets with: { μ } – a set of known functions For UHF wave-functions two sets of coefficients are needed: if μ AO LCAO-MO if μ AO LCBF-MO
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