Abstract
In this frank and thought-provoking account, quantum chemical topology (QCT) is explained to the novice, leading up highlights of QCT’s most recent findings and views. The difference between a topological atom and a quantum atom is explained. After some philosophical insights and historical material, equations start appearing in the second half, in order to explain topological energy partitioning. Special attention was paid to the clarity and completeness of these equations. This QCT approach is proposed as a minimal and reference-state-free method to interpret chemical bonding. The link between bond order and interatomic exchange energy is explicitly given and uses a multipole expansion. These two quantities are illustrated with quite a few numerical examples and the trends amongst them. Finally, the Laplacian of the electron density is briefly expounded, focusing on the so-called L-graph and how they heuristically support the Lewis pair model.
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