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I want to use the locally dense basis set approach for the
first time with three levels of accuracy (DZVP, 3-21G, and STO-3G). In
order
to use this approach with Gaussian 03 does one need to use the Gen keyword and
specifically indicate the basis set for each atom or is there a way to indicate
basis set for a group of atoms or is there a more efficient way of running the
calculation? Is the LDBS approach similar to ONIOM in the designation of
layers? Any advice would be greatly appreciated.
Ken Hunter |