Hyberdization
Slide 1 Chapter 9 Ab Initio and Density Functional Methods.
Section 5-2 Hydrogen Atomic Orbitals (cont.) Each energy sublevel relates to orbitals of different shape.
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.
Basis Sets
