Next: 29.5 Excited states with
Up: 29.4 Examples
Previous: 29.4.2 EOM-CCSD transition moments
29.4.3 Calculate an EOM-CCSD state most similar to a given CIS state
This example shows how to force the convergence of the EOM-CCSD program to a state, which resembles
at most a given CIS state.
Input: hf_eom_conv.com Output: hf_eom_conv.out
In this example the CIS state 2.4 corresponds to the EOM-CCSD state 1.4!
molpro@molpro.net
Oct 10, 2007