Abstract

An introduction to the original Bader's quantum theory of atoms in molecules (QTAIM) is presented. First, the QTAIM topology of the electron density is introduced as a tool for describing the structure and chemical bonding. Second, the exposition focuses on the so-called integrated properties, that is, the properties (energy, charge, dipole moments, etc.) of the atoms that form a stable system (molecule, solid, etc.). The justification of the zero-flux condition is presented using the treatment by Bader of the Schwinger principle of stationary action. The generalization or extension of some of the fundamental QTAIM concepts is described. The concept of quantum chemical topology is introduced.

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