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
