Next: 35.2.6 Loading the kinetic Up: 35.2 Loading matrices (LOAD) Previous: 35.2.4 Loading

35.2.5 Loading the one-electron hamiltonian

LOAD,name,H0

LOAD,name,H01

loads the one-electron hamiltonian in the AO basis. H01 differs from H0 by the addition of perturbations, if present (see sections 23.4.1, 23.4.2). The keyword H0 (H01) needs not to be given if name=H0 (H01).



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000