Dear all,
I want to calculate photoelectron angular distributions (PAD) using the QChem+ezDyson protocol. I have done it before using EOM-CCSD Dyson orbitals. However, I would like to compare the results with other methods such as DFT. In literature, PADs from DFT orbitals (using QChem/ezDyson) are reported, but the details of computations are missing.
I wonder if anyone could help me in this regard. Any help or suggestions is highly appreciated.
Thanks,
Soumitra