Huggett, Nick and Ladyman, James and Thebault, Karim P Y (2024) On the Quantum Theory of Molecules: Rigour, Idealization, and Uncertainty. [Preprint]

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Abstract

Unwarranted and incorrect claims have been made in the philosophy literature regarding the quantum theory of molecules. Various influential authors (Lombardi and Castagnino 2010; Chang 2015; Cartwright 2022) have asserted that approximations used in the quantum chemistry of molecules, and specifically the Born-Oppenheimer approximation, violates the Heisenberg uncertainty principle, and thus is in fundamental conflict with quantum theory. From this the failure of reduction of chemistry to physics is adduced. We refute these claims based upon a (textbook level) presentation of the mathematical details of the approximation together with an analysis of the relevant physical idealizations. There are more subtle questions regarding the formal justification of a particular set of mathematical idealizations involved in modern formalisations of the Born-Oppenheimer approximation (Sutcliffe and Woolley 2012). Drawing upon recent work in the mathematical physics literature (Jecko 2014) we show how such idealizations may also be justified to the relevant standards of rigour. We conclude with a prospectus of wider philosophical issues regarding rigour, reduction, and idealization in the quantum theory of molecules. This prospectus sets an agenda for work in the philosophy of quantum chemistry that is more solidly grounded in scientific practice.

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Item Type:	Preprint
Creators:	Creators Email ORCID Huggett, Nick Ladyman, James Thebault, Karim P Y karim.thebault@gmail.com
Keywords:	quantum chemistry; idealization; reduction; rigour
Subjects:	Specific Sciences > Chemistry General Issues > Models and Idealization Specific Sciences > Physics > Quantum Mechanics General Issues > Reductionism/Holism
Depositing User:	Dr Karim Thebault
Date Deposited:	10 Oct 2024 11:49
Last Modified:	10 Oct 2024 11:49
Item ID:	24037
Subjects:	Specific Sciences > Chemistry General Issues > Models and Idealization Specific Sciences > Physics > Quantum Mechanics General Issues > Reductionism/Holism
Date:	9 October 2024
URI:	https://philsci-archive.pitt.edu/id/eprint/24037

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