Analyzing the local basis set superposition error for CO adsorbed on rutile(110)

  title={Analyzing the local basis set superposition error for CO adsorbed on rutile(110)},
  author={Wilke Dononelli and Thorsten Kl{\"u}ner},
  journal={arXiv: Chemical Physics},
The aim of this letter is to introduce a new method to analyze the local basis set superposition error (LBSSE) using local counterpoise corrections (CP) in order to converge a basis set for a given compound. Using this approach, we are able to define a basis set composition for a CO molecule adsorbed on rutile(110), which can be regarded as complete. In addition to a new LBSSE analysis, adsorption energies of CO on rutile(110) at the MP2 and CCSD level of theory are presented. 
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