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18.6.2 Defining the core orbitals (CORE)

CORE, $c_1$, $c_2 \ldots$

The first $c_i$ orbitals in each symmetry are treated as core orbitals and not localized. Thus, orbitals $c_i+1$ to $o_i$ are localized in symmetry $i$.



molpro@molpro.net 2016-12-06