| 2:48:39 PM PDT - Fri, May 24th 2013 |
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| In principle COSMO can be used with many different levels of theory. However, in practice I would think the highest level of theory is CASSCF. The reason is that the COSMO charges are dependent on the electron density. So your level of theory must allow that quantity to be generated readily. The COSMO charges then feed into the one-electron potential. Hence they will change the orbitals. If one were not to update the orbitals then some inconsistency would remain. However, at the moment in NWChem COSMO is implemented up-to the DFT level of theory only.
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