Abstract
The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum mechanics. In this work, we will study the problem from the perspective of the Quantum Theory of Atoms in Molecules (QTAIM), proposed by Richard Bader in the nineties. The purpose of this article is to unveil the role of QTAIM in the inter-theoretical relations between chemistry and physics. We argue that, although the QTAIM solves two relevant obstacles to reduction by providing a rigorous definition of chemical bond and of atoms in a molecule, it appeals to concepts that are unacceptable in the quantum–mechanical context. Therefore, the QTAIM fails to provide the desired reduction. On the other hand, we will show that the QTAIM is more similar to Bohmian mechanics and that the basic elements of both theories are closely related.
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Acknowledgements
This publication was made possible through the support of Grant 57919 from the John Templeton Foundation, and Grant PICT-2812 of the Agencia Nacional de Promoción Cientítica y Tecnológica of Argentina.
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Jaimes Arriaga, J.A., Fortin, S. & Lombardi, O. A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules. Found Chem 21, 125–136 (2019). https://doi.org/10.1007/s10698-018-09332-1
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DOI: https://doi.org/10.1007/s10698-018-09332-1