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28.4.4 Examples

The first examples shows various possibilities to add perturbations to the one-electron hamiltonian.

Input: field.com

Output: field.out

The second example shows how to compute dipole moments and polarizabilities using finite fields.

Input: h2o_field.com

Output: h2o_field.out



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