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We’ll have to select a different basis set to use for platinum; A common choice of basis sets for transition metals is lanl2dz, however the non-ecp part of the lanl2dz definitions is small which has raised … Below is a table showing the times and number of basis functions for each basis set that was used in calculating excited state energies of an optimized configuration of tryptophan.
The lacvp series of basis sets is a combination of the successful 6-31g basis set with the lanl2dz effective core basis set. Specifically the atoms h - ar are described with the 6-31g (or 6-31g*, 6 … While for the lighter elements the d95v all-electron basis is used, the lan2dz ecp replaces the innermost 18 electrons in zn by an ecp and treats the remaining 12 electrons explicitly with a dz basis.
