[molpro-user] Evaluation of the Hamiltonian with a given WF in ci
rebolini at lct.jussieu.fr
Mon Nov 18 09:09:12 GMT 2013
I'm trying to evaluate the expectation value of an Hamiltonian using the
WF calculated in a previous ci calculation.
I tried to use the ci program, using the save, start options and setting
the number of iterations to 1
However, it doesn't seem to take the WF coming from above.
Is there a mistake in my input or is there another way to do this ?
text, Singlet S States
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