Abstract
This chapter provides an overview of Connectivity-Based Hierarchy (CBH), a generalized and systematic error cancellation approach for QM calculations. The central goal of CBH is to achieve chemical accuracy using relatively inexpensive computational methods. The method is a generalization of Pople’s isodesmic bond separation scheme, where systematic errors in theoretical methods associated with local chemical units are well-balanced in the products and reactants and are thus canceled. Due to error cancellation, such schemes may be calculated with high accuracy. CBH considers only the bond connectivity from the valence bond structure of a molecule and is therefore applicable to any organic or biomolecule whose atoms are covalently bonded.
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