Hello,

I'm calculating the interaction energy between molecule and graphene sheet using Eq. (E_i = (E_graphene + E_molecule) - (E_graphene+molecule). I have employed a numerical atomic orbital basis set. I am looking to calculated the basis set superposition error (BSSE) in such calculations with SIESTA 4.0.1 code. Can anybody give me a reference where I can read about BSSE correction? Maybe somebody can give me a hint on how to do it simply and accurately. Thanks in advance!

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