molden files for CC2 or other coupled cluster calculated wavefunctions?

Started by pandaaka, April 21, 2011, 04:08:40 PM

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pandaaka

Hi,

I want to perform QTAIM analysis on a complex, and to look at the changes in the density as one applies different levels of theory, ie. HF, DFT, CC2. My problem is that to perform the AIM analysis, I need a molden file corresponding to the correct wavefunction. Whilst this is straightforward for HF and DFT, is there a way that I can get turbomole to give me a molden file corresponding to the CC2 corrected wavefunction? Or, for that many, any couple cluster wavefunction?

Thanks in advance,

pandaaka