A comment on “Editorial 37” Content Type Journal Article Pages 93-95 DOI 10.1007/s10698-011-9110-4 Authors Brian T. Sutcliffe, Laboratoire de Chimie quantique et Photophysique, Université Libre de Bruxelles, B-1050 Bruxelles, Belgium R. Guy Woolley, School of Biomedical and Natural Sciences, Nottingham Trent University, Nottingham, NG11 8NS UK Journal Foundations of Chemistry Online ISSN 1572-8463 Print ISSN 1386-4238 Journal Volume Volume 13 Journal Issue Volume 13, Number 2.

The reduction from Einstein's to Newton's gravitation theories (and intermediate steps) is used to exemplify reduction in physical theories. Both dimensionless and dimensional reduction are presented, and the advantages and disadvantages of each are pointed out. It is concluded that neither a completely reductionist nor a completely antireductionist view can be maintained. Only the mathematical structure is strictly reducible. The interpretation (the model, the central concepts) of the superseded theory T′ can at best only partially be derived directly from the (...) superseding theory T; it is severely constrained by the mathematical structure, and it can involve qualitatively different central terms that cannot be logically related between T and T′. (shrink)

The aim of this essay is to distinguish and analyze several difficulties confronting attempts to reconcile the fundamental quantum mechanical dynamics with Born''s rule. It is shown that many of the proposed accounts of measurement fail at least one of the problems. In particular, only collapse theories and hidden variables theories have a chance of succeeding, and, of the latter, the modal interpretations fail. Any real solution demands new physics.

By moving away from the traditional reductionist reading of the quantum theory of atoms in molecules, in this paper we analyze the role played by QTAIM in the relationship between molecular chemistry and quantum mechanics from an emergentist perspective. In particular, we show that such a relationship involves two steps: an intra-domain emergence and an inter-domain emergence. Intra-domain emergence, internal to quantum mechanics, results from the fact that the electron density, from which all the other QTAIM’s concepts are defined, arises (...) from the wavefunction as a coarse-grained magnitude. Inter-domain emergence involves an analogical link, a mapping, between QTAIM’s entities, such as topological atoms and bond paths, and the entities that populate the molecular-chemistry domain, such as chemical atoms and chemical bonds. (shrink)

In the present paper we address the problem of optical isomerism embodied in the socalled “Hund’s paradox”, which points to the difficulty to account for chirality by means of quantum mechanics. In particular, we explain the answer to the problem proposed by the theory of decoherence. The purpose of this article is to challenge this answer on the basis of a conceptual analysis of the phenomenon of decoherence, that reveals the limitations of the theory of decoherence to solve the difficulties (...) posed by optical isomerism and, in general, by quantum measurement. (shrink)

The aim of this paper is to introduce a new member of the family of the modal interpretations of quantum mechanics. In this modal-Hamiltonian interpretation, the Hamiltonian of the quantum system plays a decisive role in the property-ascription rule that selects the definite-valued observables whose possible values become actual. We show that this interpretation is effective for solving the measurement problem, both in its ideal and its non-ideal versions, and we argue for the physical relevance of the property-ascription rule by (...) applying it to well-known physical situations. Moreover, we explain how this interpretation supplies a description of the elemental categories of the ontology referred to by the theory, where quantum systems turn out to be bundles of possible properties. (shrink)

The aim of this paper is to introduce a new member of the family of the modal interpretations of quantum mechanics. In this modal-Hamiltonian interpretation, the Hamiltonian of the quantum system plays a decisive role in the property-ascription rule that selects the definite-valued observables whose possible values become actual. We show that this interpretation is effective for solving the measurement problem, both in its ideal and its non-ideal versions, and we argue for the physical relevance of the property-ascription rule by (...) applying it to well-known physical situations. Moreover, we explain how this interpretation supplies a description of the elemental categories of the ontology referred to by the theory, where quantum systems turn out to be bundles of possible properties. (shrink)

In this paper I investigate two views of theoretical explanation in quantum chemistry, advocated by John Clarke Slater and Charles Coulson. Slater argued for quantum‐mechanical rigor, and the primacy of fundamental principles in models of chemical bonding. Coulson emphasized systematic explanatory power within chemistry, and continuity with existing chemical explanations. I relate these views to the epistemic contexts of their disciplines.

In this article I sketch G. N. Lewis’s views on chemical bonding and Linus Pauling’s attempt to preserve Lewis’s insights within a quantum‐mechanical theory of the bond. I then set out two broad conceptions of the chemical bond, the structural and the energetic views, which differ on the extent in which they preserve anything like the classical chemical bond in the modern quantum‐mechanical understanding of molecular structure. †To contact the author, please write to: Department of Philosophy, Durham University, 50 Old (...) Elvet, Durham DH1 3HN, UK; e‐mail: [email protected]. (shrink)

The integration of recent work on decoherence into a so-called modal interpretation offers a promising new approach to the measurement problem in quantum mechanics. In this paper I explain and develop this approach in the context of the interactive interpretation presented in Healey (1989). I begin by questioning a number of assumptions which are standardly made in setting up the measurement problem, and I conclude that no satisfactory solution can afford to ignore the influence of the environment. Further, I argue (...) that there are good reasons to believe that on a modal interpretation environmental interactions rapidly ensure that a quantummechanically describable apparatus indeed records a definite result following a measurement interaction. (shrink)

Perhaps the hottest topic in the philosophy of chemistry is that of the relationship between chemistry and physics. The problem finds one of its main manifestations in the debate about the nature of molecular structure, given by the spatial arrangement of the nuclei in a molecule. The traditional strategy to address the problem is to consider chemical cases that challenge the definition of molecular structure in quantum–mechanical terms. Instead of taking that top-down strategy, in this paper we face the problem (...) of the reduction of molecular structure to quantum mechanics from a bottom-up perspective: our aim is to show how the theoretical peculiarities of quantum mechanics stand against the possibility of molecular structure, defined in terms of the spatial relations of the nuclei conceived as individual localized objects. We will argue that, according to the theory, quantum “particles” are not individuals that can be identified as different from others and that can be reidentified through time; therefore, they do not have the ontological stability necessary to maintain the relations that can lead to a spatially definite system with an identifiable shape. On the other hand, although quantum chemists use the resources supplied by quantum mechanics with successful results, this does no mean reduction: their “approximations” add certain assumptions that are not justified in the context of quantum mechanics or are even inconsistent with the very formal structure of the theory. (shrink)

Whether or not quantum physics can account for molecular structure is a matter of considerable controversy. Three of the problems raised in this regard are the problems of molecular structure. We argue that these problems are just special cases of the measurement problem of quantum mechanics: insofar as the measurement problem is solved, the problems of molecular structure are resolved as well. In addition, we explore one consequence of our argument: that claims about the reduction or emergence of molecular structure (...) cannot be settled independently of the choice of a particular resolution to the measurement problem. Specifically, we consider how three standard putative solutions to the measurement problem inform our under- standing of a molecule in isolation, as well as of chemistry’s relation to quantum physics. (shrink)

In the present paper we address the problem of optical isomerism embodied in the socalled “Hund’s paradox”, which points to the difficulty to account for chirality by means of quantum mechanics. In particular, we explain the answer to the problem proposed by the theory of decoherence. The purpose of this article is to challenge this answer on the basis of a conceptual analysis of the phenomenon of decoherence, that reveals the limitations of the theory of decoherence to solve the difficulties (...) posed by optical isomerism and, in general, by quantum measurement. (shrink)

The modal-Hamiltonian interpretation belongs to the modal family of interpretations of quantum mechanics. By endowing the Hamiltonian with the role of selecting the subset of the definite-valued observables of the system, it accounts for ideal and non-ideal measurements, and also supplies a criterion to distinguish between reliable and non-reliable measurements in the non-ideal case. It can be reformulated in an explicitly invariant form, in terms of the Casimir operators of the Galilean group, and the compatibility of the MHI with the (...) theory of decoherence has been proved. Nevertheless, perhaps its main advantage in the eyes of a scientist is given by its several applications to well-known physical situations, leading to results compatible with experimental evidence. The purpose of this paper is to add a new application to the list: the case of optical isomerism, which is a central issue for the philosophy of physics and of chemistry since it points to the core of the problem of the relationship between physics and chemistry. Here it will be shown that the MHI supplies a direct and physically natural solution to the problem, a solution that does not require putting classical assumptions in “by hand.”. (shrink)

According to ontological reductionism, molecular chemistry refers, at last, to the quantum ontology; therefore, the ontological commitments of chemistry turn out to be finally grounded on quantum mechanics. The main problem of this position is that nobody really knows what quantum ontology is. The purpose of this work is to argue that the confidence in the existence of the physical entities described by quantum mechanics does not take into account the interpretative problems of the theory: in the discussions about the (...) relationship between chemistry and physics, difficulties are seen only on the side of chemistry, whereas matters highly controversial on the side of physics are taken for granted. For instance, it is usually supposed that the infinite mass limit in the Born-Oppenheimer approximation leads by itself to the concept of molecular framework used in molecular chemistry. We will argue that this assumption is implicitly based on an interpretative postulate for quantum mechanics, which, in turn, runs into difficulties when applied to the explanation of the simplest model of the hydrogen atom. (shrink)

Both physicists and philosophers claim that quantum mechanics reduces to classical mechanics as 0, that classical mechanics is a limiting case of quantum mechanics. If so, several formal and non-formal conditions must be satisfied. These conditions are satisfied in a reduction using the Wigner transformation to map quantum mechanics onto the classical phase plane. This reduction does not, however, assist in providing an adequate metaphysical interpretation of quantum theory.

This treatise presents thoughts on the divide that exists in chemistry between those who seek their understanding within a universe wherein the laws of physics apply and those who prefer alternative universes wherein the laws are suspended or ‘bent’ to suit preconceived ideas. The former approach is embodied in the quantum theory of atoms in molecules (QTAIM), a theory based upon the properties of a system’s observable distribution of charge. Science is experimental observation followed by appeal to theory that, upon (...) occasion, leads to new experiments. This is the path that led to the development of the molecular structure hypothesis—that a molecule is a collection atoms with characteristic properties linked by a network of bonds that impart a structure—a concept forged in the crucible of nineteenth century experimental chemistry. One hundred and fifty years of experimental chemistry underlie the realization that the properties of some total system are the sum of its atomic contributions. The concept of a functional group, consisting of a single atom or a linked set of atoms, with characteristic additive properties forms the cornerstone of chemical thinking of both molecules and crystals and Dalton’s atomic hypothesis has emerged as the operational theory of chemistry. We recognize the presence of a functional group in a given system and predict its effect upon the static, reactive and spectroscopic properties of the system in terms of the characteristic properties assigned to that group. QTAM gives physical substance to the concept of a functional group. (shrink)

Chemistry and physics are two sciences that are hard to connect. Yet there is significant overlap in their aims, methods, and theoretical approaches. In this book, the reduction of chemistry to physics is defended from the viewpoint of a naturalised Nagelian reduction, which is based on a close reading of Nagel's original text. This naturalised notion of reduction is capable of characterising the inter-theory relationships between theories of chemistry and theories of physics. The reconsideration of reduction also leads to a (...) new characterisation of chemical theories. This book is primarily aimed at philosophers of chemistry and chemists with an interest in philosophy, but is also of interest to the general philosopher of science. (shrink)

Here Roland Omnès offers a clear, up-to-date guide to the conceptual framework of quantum mechanics. In an area that has provoked much philosophical debate, Omnès has achieved high recognition for his Interpretation of Quantum Mechanics (Princeton 1994), a book for specialists. Now the author has transformed his own theory into a short and readable text that enables beginning students and experienced physicists, mathematicians, and philosophers to form a comprehensive picture of the field while learning about the most recent advances. This (...) new book presents a more streamlined version of the Copenhagen interpretation, showing its logical consistency and completeness. The problem of measurement is a major area of inquiry, with the author surveying its history from Planck to Heisenberg before describing the consistent-histories interpretation. He draws upon the most recent research on the decoherence effect (related to the modern resolution of the famous Schrödinger's cat problem) and an exact formulation of the correspondence between quantum and particle physics (implying a derivation of classical determinism from quantum probabilism). Interpretation is organized with the help of a universal and sound language using so-called consistent histories. As a language and a method, it can now be shown to be free of ambiguity and it makes interpretation much clearer and closer to common sense. (shrink)

The context of an operational description is given by the distinction between what we consider as relevant and what as irrelevant for a particular experiment or observation. A rigorous description of a context in terms of a mathematically formulated context-independent fundamental theory is possible by the restriction of the domain of the basic theory and the introduction of a new coarser topology. Such a new topology is never given by first principles, but depends in a crucial way on the abstractions (...) made by the cognitive apparatus or the pattern recognition devices used by the experimentalist. A consistent mathematical formulation of a higher-level theory requires the closure of the restriction of the basic theory in the new contextual topology. The validity domain of the so constructed higher-level theory intersects nontrivially with the validity domain of the basic theory: neither domain is contained in the other. Therefore, higher-level theories cannot be totally ordered and theory reduction is not transitive. The emergence of qualitatively new properties is a necessary consequence of such a formulation of theory reduction (which does not correspond to the traditional one). Emergent properties are not manifest on the level of the basic theory, but they can be derived rigorously by imposing new, contextually selected topologies upon context-independent first principles. Most intertheoretical relations are mathematically describable as singular asymptotic expansions which do not converge in the topology of the primary theory, or by choosing one of the infinitely many possible, physically inequivalent representations of the primary theory (Gelfand–Naimark–Segal-construction of algebraic quantum mechanics). As examples we discuss the emergence of shadows, inductors, capacitors and resistors from Maxwell’s electrodynamics, the emergence of order parameters in statistical mechanics, the emergence of mass as a classical observable in Galilei-relativistic theories, the emergence of the shape of molecules in quantum mechanics, the emergence of temperature and other classical observables in algebraic quantum mechanics. (shrink)