Supermolecules atomic orbital basis sets

This review concentrates on the fundamentals of supermolecule model chemistries for clusters of atoms/molecules held together by weak chemical forces. The principles behind the appropriate selection of theoretical method and basis set for a particular class of weak noncovalent interactions provide the foundation for understanding more complex computational schemes that might require the user to specify more than just a method and/or basis set, such as highly efficient fragmentation schemes [e.g., the effective fragment potential (EFP) method, " the fragment molecular orbital (FMO) method, the... 

---