[molpro-user] Dipole moment calculation with CCSD

Li, Jun Jun.Li at pnl.gov
Thu Sep 15 18:00:19 BST 2005

Hi, Colleagues,

I am wondering if anyone has experience of calculating dipole moments
with CCSD? By using the "gexpec,dm", the dipole moment for HF and DFT
are all calculated, but not for CCSD or CCSD(T).  I must have missed
something.  Any help would be appreciated.

Jun Li

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