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Dear CCLers,
Could anyone point out the corresponding valence
basis set of Au for Stuttgart's ECP78SHF? I can find the basis set on their
website for the 78 core-electron, but cannot find any basis
set for the last valence electron. Should I use other valence electron
basis set, like ECP60MHF? or I just simply miss something
Really appreciate if anyone who has experience can
provide some information.
Best regards,
-Brad Tsai
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