Next: 17.1.3 Specifying open-shell orbitals Up: 17.1 Defining the wavefunction Previous: 17.1.1 Defining the number

17.1.2 Specifying closed-shell orbitals

CLOSED, $n_1,n_2,\ldots,n_8$

This optional card can be used in open-shell calculations to specify the number of closed-shell orbitals in each symmetry. This makes possible to force specific states in the absence of an OPEN card.


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