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19.6.2 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 $i$.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002