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Next: 18.6.2 Defining the core Up: 18.6 Selecting the orbital Previous: 18.6 Selecting the orbital   Contents   Index   PDF

18.6.1 Defining the occupied space (OCC)

OCC, $o_1$, $o_2 \ldots$

defines the highest orbital $o_i$ in each symmetry $i$ to be localized.



molpro@molpro.net 2017-12-13