I am trying to get "Vertical Ionization Potential" and "Electronic Affinity" of a nano-structured cluster (13- atom Silver Icosahedral and Decahedral structure). But I don't know how to get those properties by using Dmol3. I have attached the paper I am following. In the paper (table-1) they calculated "Electronic Affinity" and "Vertical Ionization Potential", what exactly I want to do.
Thanking in advance.
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