Abstract

It is shown that a supposed catastrophe of Bader's theory of atoms in molecules, suggested by Cassam-chenai and Jayatilaka [Theor Chem Acc (2001) 105: 213] is merely a consequence of the approximate character of the adiabatic Born–Oppenheimer theory of molecular structure, and that nonadiabatic approaches could be in accordance with Bader's ideas.

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