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The top documents tagged [gaussian type orbitals]
Slide 1 Chapter 9 Ab Initio and Density Functional Methods
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Computational Chemistry Molecular Modeling. Requires mastering a broad range of fields Chemistry, Physics, Mathematics, Computer science, Biology,
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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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Institute for Theory and Computation in Molecular and Materials Sciences “Quantum Theory Project”
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