According to classical molecular chemistry, molecules have a structure, that is, they are sets of atoms with a definite arrangements in space and held together by chemical bonds. The concept of molecular structure is central to modern chemical thought given its impressive predictive power. It is also a very useful concept in chemistry education, due to its role in the rationalization and visualization of microscopic phenomena. However, such a concept seems to find no place in the (...) ontology described by quantum mechanics, since it appeals to classical notions such as the position of the atomic nuclei or the individuality of electrons. Although this problem has attracted the attention of several authors, the discussion is far from settled. Some authors adopt an explicitly reductionist position and advocate to reconstruct the concept of molecular structure within the framework of the quantum theory. Others, although acknowledging the conceptual discontinuity between quantum mechanics and molecular chemistry, keep the hope of future reduction alive. From an explicitly non-reductionist position, on the contrary, others authors conceive molecular structure as an emergent phenomenon. The purpose of this article is to propose a different line of argumentation to address this problem. By contrast to reduction and emergence, the admission of a multiplicity of ontologies, not necessarily linked by hierarchical connections, cancels the need of finding a relation of dependence between the molecular level and the quantum level. This ontologically pluralist position can be applied to the issue of molecular structure, in order to argue that it is possible to admit the existence of structure in the ontology of molecular chemistry, in spite of the fact that it does not exist in the quantum world. (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)

Recently it has been shown that the classical “stick and ball” viewpoint of molecules is inconsistent with quantum theory (QT). We suggest an unusual reconciliation: The QT state is not a physical property, but instead reflects our state of knowledge about observable aspects of “reality.” We show how this perspective is nevertheless objective. Applied to molecules, the view permits “structure” to exist only when observable evidence is compatible with this feature. Typically one must replace the a priori (...) model (in particular, the dynamical generator) with one consistent with the evidence. We show that such “structure” is stable in the context of first-order perturbation theory. We also indicate how dynamics can be inferred from scattering data—a process alternative to postulating (field-theoretic) models for “environment.”. (shrink)

Quantum systems have a holistic structure, which implies that they cannot be divided into parts. In order tocreate (sub)objects like individual substances, molecules, nuclei, etc., in a universal whole, the Einstein-Podolsky-Rosen correlations between all the subentities, e.g. all the molecules in a substance, must be suppressed by perceptual and mental processes.Here the particular problems ofGestalt (shape)perception are compared with the attempts toattribute a shape to a quantum mechanical system like a molecule. Gestalt perception and quantum mechanics (...) turn out (on an informal level) to show similar features and problems: holistic aspects, creation of objects, dressing procedures, influence of the observer, classical quantities and structures. The attribute classical of a property or structure means thatholistic correlations to any other quantity do not exist or that these correlations are considered as irrelevant and therefore eliminated (either deliberately and by declaration or in a mental process that is not under rational control). An example of animposed classical structure is the nuclear frame of a molecule. Candidates for classical properties that arenot imposed by the observer could be the charge of a particle or the handedness of a molecule. It is argued here that at least part of a molecule's shape can begenerated automatically by the environment. A molecular shape of this sort arises in addition to Lamb shift-type energy corrections. (shrink)

What chemists take as molecular structure is a theoretical construct based on the concepts of chemical bond, atoms in molecules, etc. and hence it should be distinguished from tangible structures around us. The practical adequacy of it has been demonstrated by the established method of retro-synthetic analysis, for instance. But it is not derived a priori from quantum mechanical treatments of the molecule and criticized for being irrelevant to the reality of the molecule. There is persistent skepticism (...) about it. The present study aims to overcome this skepticism by having recourse to the concepts of affordance and phenomenal field. The basic idea of our approach is suggested by the following statement of Niels Bohr: ‘evidence obtained under different experimental conditions cannot be comprehended within a single picture but must be regarded as complementary in the sense that only the totality of the phenomena exhausts the possible information about the objects’. This implies that we should take account of a context in which the cognition of a fact arises when we think about human activities including science. This can be realized by invoking affordances of a complex such as {agent, devices, methods, substances, surroundings}. That is to say, affordances are context-relative dispositional attributes of {agent-material world} complexes as is asserted by Harré and Llored. The phenomenal field is a conceptual device which schematizes the contextual aspect of affordance and, more importantly, serves as a link between the concept of affordance and Kant’s theory of knowledge, by which alone affordances are realized as the dispositional properties of {agent-material world} complexes. Because affordances become actualized in various phenomenal fields, affordances of one and the same object may well be distinct from one another. In conclusion we can take that molecular structure is the affordance of a complex that includes a chemist who is engaged in organic synthesis, whereas a quantum mechanical picture of the molecule may be one of the possible affordances of a complex that includes a quantum chemist who cares about electronic states of the molecule. (shrink)

What chemists take as molecular structure is a theoretical construct based on the concepts of chemical bond, atoms in molecules, etc. and hence it should be distinguished from tangible structures around us. The practical adequacy of it has been demonstrated by the established method of retro-synthetic analysis, for instance. But it is not derived a priori from quantum mechanical treatments of the molecule and criticized for being irrelevant to the reality of the molecule. There is persistent skepticism (...) about it. The present study aims to overcome this skepticism by having recourse to the concepts of affordance and phenomenal field. The basic idea of our approach is suggested by the following statement of Niels Bohr: ‘evidence obtained under different experimental conditions cannot be comprehended within a single picture but must be regarded as complementary in the sense that only the totality of the phenomena exhausts the possible information about the objects’. This implies that we should take account of a context in which the cognition of a fact arises when we think about human activities including science. This can be realized by invoking affordances of a complex such as {agent, devices, methods, substances, surroundings}. That is to say, affordances are context-relative dispositional attributes of {agent-material world} complexes as is asserted by Harré and Llored. The phenomenal field is a conceptual device which schematizes the contextual aspect of affordance and, more importantly, serves as a link between the concept of affordance and Kant’s theory of knowledge, by which alone affordances are realized as the dispositional properties of {agent-material world} complexes. Because affordances become actualized in various phenomenal fields, affordances of one and the same object may well be distinct from one another. In conclusion we can take that molecular structure is the affordance of a complex that includes a chemist who is engaged in organic synthesis, whereas a quantum mechanical picture of the molecule may be one of the possible affordances of a complex that includes a quantum chemist who cares about electronic states of the molecule. (shrink)

What chemists take as molecular structure is a theoretical construct based on the concepts of chemical bond, atoms in molecules, etc. and hence it should be distinguished from tangible structures around us. The practical adequacy of it has been demonstrated by the established method of retro-synthetic analysis, for instance. But it is not derived a priori from quantum mechanical treatments of the molecule and criticized for being irrelevant to the reality of the molecule. There is persistent skepticism (...) about it. The present study aims to overcome this skepticism by having recourse to the concepts of affordance and phenomenal field. The basic idea of our approach is suggested by the following statement of Niels Bohr: ‘evidence obtained under different experimental conditions cannot be comprehended within a single picture but must be regarded as complementary in the sense that only the totality of the phenomena exhausts the possible information about the objects’. This implies that we should take account of a context in which the cognition of a fact arises when we think about human activities including science. This can be realized by invoking affordances of a complex such as {agent, devices, methods, substances, surroundings}. That is to say, affordances are context-relative dispositional attributes of {agent-material world} complexes as is asserted by Harré and Llored. The phenomenal field is a conceptual device which schematizes the contextual aspect of affordance and, more importantly, serves as a link between the concept of affordance and Kant’s theory of knowledge, by which alone affordances are realized as the dispositional properties of {agent-material world} complexes. Because affordances become actualized in various phenomenal fields, affordances of one and the same object may well be distinct from one another. In conclusion we can take that molecular structure is the affordance of a complex that includes a chemist who is engaged in organic synthesis, whereas a quantum mechanical picture of the molecule may be one of the possible affordances of a complex that includes a quantum chemist who cares about electronic states of the molecule. (shrink)

What chemists take as molecular structure is a theoretical construct based on the concepts of chemical bond, atoms in molecules, etc. and hence it should be distinguished from tangible structures around us. The practical adequacy of it has been demonstrated by the established method of retro-synthetic analysis, for instance. But it is not derived a priori from quantum mechanical treatments of the molecule and criticized for being irrelevant to the reality of the molecule. There is persistent skepticism (...) about it. The present study aims to overcome this skepticism by having recourse to the concepts of affordance and phenomenal field. The basic idea of our approach is suggested by the following statement of Niels Bohr: ‘evidence obtained under different experimental conditions cannot be comprehended within a single picture but must be regarded as complementary in the sense that only the totality of the phenomena exhausts the possible information about the objects’. This implies that we should take account of a context in which the cognition of a fact arises when we think about human activities including science. This can be realized by invoking affordances of a complex such as {agent, devices, methods, substances, surroundings}. That is to say, affordances are context-relative dispositional attributes of {agent-material world} complexes as is asserted by Harré and Llored. The phenomenal field is a conceptual device which schematizes the contextual aspect of affordance and, more importantly, serves as a link between the concept of affordance and Kant’s theory of knowledge, by which alone affordances are realized as the dispositional properties of {agent-material world} complexes. Because affordances become actualized in various phenomenal fields, affordances of one and the same object may well be distinct from one another. In conclusion we can take that molecular structure is the affordance of a complex that includes a chemist who is engaged in organic synthesis, whereas a quantum mechanical picture of the molecule may be one of the possible affordances of a complex that includes a quantum chemist who cares about electronic states of the molecule. (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 a recent article entitled “The problem of molecular structure just is the measurement problem”, Alexander Franklin and Vanessa Seifert argue that insofar as the quantum measurement problem is solved, the problems of molecular structure are resolved as well. The purpose of the present article is to show that such a claim is too optimistic. Although the solution of the quantum measurement problem is relevant to how the problem of molecular structure is (...) faced, such a solution is not sufficient to account for the structure of molecules as understood in the field of chemistry. (shrink)

It is argued that the conventional descriptions of chemical bonds as covalent, ionic, metallic, and Van der Waals are compromising the usefulness of quantum mechanics in the synthesis and design of new molecules and materials. Parallels are drawn between the state of chemistry now and when the idea that phlogiston was an element impeded the development of chemistry. Overcoming the current obstacles will require new methods to describe molecular structure and bonding, just as new concepts were needed (...) before the phlogiston theory could be set aside. (shrink)

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)

According to scientific realists, the predictive success of mature theories provides a strong epistemic basis for thinking that such theories are approximately true. However, we know that many theories once regarded as well-confirmed and predictively successful were eventually replaced with successor theories, and some claim this undermines the epistemic confidence we should have in the approximate truth of current science. Selective scientific realists in turn argue that if one can show that the predictive success of some rejected theory T (...) is a function of theoretical claims consistent with current science, then T’s failure doesn’t undermine the claim that current successful theories are approximately true. As such, Selective Scientific Realism (SSR) can be tested through historical examples. Showing that the predictive success of a failed theory is the result of theoretical features later rejected provides a counterexample to SSR. Conversely, SSR is supported if its explanation of the predictive success of failed theories--namely, that the factors which lead to predictive success in the failed theory survive in the successor theory--is able to handle a wide array of historical cases. (shrink)

I give an introduction to the conceptual structure of quantum field theory as it is used in mainstream theoretical physics today, aimed at non-specialists. My main focuses in the article are the common structure of quantum field theory as it is applied in solid-state physics and as it is applied in high-energy physics; the modern theory of renormalisation.

One of the most plausible and widely discussed examples of strong emergence is molecular structure. The only detailed account of it, which has been very influential, is due to Robin Hendry and is formulated in terms of downward causation. This paper explains Hendry’s account of the strong emergence of molecular structure and argues that it is coherent only if one assumes a diachronic reflexive notion of downward causation. However, in the context of this notion of downward (...) causation, the strong emergence of molecular structure faces three challenges that have not been met and which have so far remained unnoticed. First, the putative empirical evidence presented for the strong emergence of molecular structure equally undermines supervenience, which is one of the main tenets of strong emergence. Secondly, it is ambiguous how the assumption of determinate nuclear positions is invoked for the support of strong emergence, as the role of this assumption in Hendry’s argument can be interpreted in more than one way. Lastly, there are understandings of causation which render the postulation of a downward causal relation between a molecule’s structure and its quantum mechanical entities, untenable. (shrink)

The concept of molecular structure is fundamental to the practice and understanding of chemistry, but the meaning of this term has evolved and is still evolving. The Born–Oppenheimer separation of electronic and nuclear motions lies at the heart of most modern quantum chemical models of molecular structure. While this separation introduces a great computational and practical simplification, it is neither essential to the conceptual formulation of molecular structure nor universally valid. Going beyond the (...) Born–Oppenheimer approximation introduces new paradigms, bringing fresh insight into the chemistry of fluxional molecules, proteins, superconductors and macroscopic dielectrics, thus opening up new avenues for exploration. But it requires that our ideas of molecular structure need to evolve beyond simple ball-and-stick-type models. (shrink)

Are living organisms--as Descartes argued--just machines? Or is the nature of life such that it can never be fully explained by mechanistic models? In this thought-provoking and controversial book, eminent geophysicist Walter M. Elsasser argues that the behavior of living organisms cannot be reduced to physico-chemical causality. Suggesting that molecular biology today is at the same point as Newtonian physics on the eve of the quantum revolution, Elsasser lays the foundation for a theoretical biology that points the way (...) toward a natural philosophy of organic life. Explicitly repudiating "vitalism" (the notion that the laws of nature need to be modified when applied to living organisms), Elsasser argues instead that the structural complexity of even a single living cell is "transcomputational"--that is, beyond the power of any imaginable system to compute. Beginning from this insight, Elsasser leads the reader through a step-by-step process that ultimately arrives at the conclusion that living and non-living matter are separated by "a no-man's land of irrationality." Trained in Germany as a physicist, Elsasser first pondered the implications of quantum mechanics for biology as early as 1951. The more closely he studied the inherent complexity of life, the more skeptical he became of the reductionist view of organisms as tiny machines. "An organism," he concluded, "is a source of causal chains which cannot be traced beyond a terminal point because they are lost in the unfathomable complexity of the organism." Like the physicist who works within the bounds of an unfathomable universe, Elsasser argues, the biologist must seek answers within a system that is no less unfathomable. (shrink)

In the author’s previous contribution to this journal (Rosen 2015), a phenomenological string theory was proposed based on qualitative topology and hypercomplex numbers. The current paper takes this further by delving into the ancient Chinese origin of phenomenological string theory. First, we discover a connection between the Klein bottle, which is crucial to the theory, and the Ho-t’u, a Chinese number archetype central to Taoist cosmology. The two structures are seen to mirror each other in expressing the (...) psychophysical (phenomenological) action pattern at the heart of microphysics. But tackling the question of quantum gravity requires that a whole family of topological dimensions be brought into play. What we find in engaging with these structures is a closely related family of Taoist forebears that, in concert with their successors, provide a blueprint for cosmic evolution. Whereas conventional string theory accounts for the generation of nature’s fundamental forces via a notion of symmetry breaking that is essentially static and thus unable to explain cosmogony successfully, phenomenological/Taoist string theory entails the dialectical interplay of symmetry and asymmetry inherent in the principle of synsymmetry. This dynamic concept of cosmic change is elaborated on in the three concluding sections of the paper. Here, a detailed analysis of cosmogony is offered, first in terms of the theory of dimensional development and its Taoist (yin-yang) counterpart, then in terms of the evolution of the elemental force particles through cycles of expansion and contraction in a spiraling universe. The paper closes by considering the role of the analyst per se in the further evolution of the cosmos. (shrink)

An Aristotelian philosophy of nature offers an alternative to reduction for the conception of the inter-theoretical relationships between molecular chemistry and quantum mechanics. A basic ingredient for such an approach is an ontology of fundamental causal powers, and this work aims to develop such an ontology by drawing on quantum-chemical entities, particularly, the electron density. This notion is central to the Quantum Theory of Atoms in Molecules, a theory of molecular structure developed (...) by Richard F. W. Bader, which describes molecules and atoms in terms precisely of the electron density. Then, by identifying a philosophical tension in Bader’s discourse about the nature of electron density, the work will analyze this central notion in terms of the categorical/dispositional distinction regarding properties. The central idea is that electron density can be conceived as categorical and dispositional at once, and this very characterization can avoid Bader’s philosophical tension. (shrink)

The paper compares ontic structural realism in quantum physics with ontic structural realism about space–time. We contend that both quantum theory and general relativity theory support a common, contentful metaphysics of ontic structural realism. After recalling the main claim of ontic structural realism and its physical support, we point out that both in the domain of quantum theory and in the domain of general relativity theory, there are objects whose essential ways of being (...) are certain relations so that these objects do not possess an intrinsic identity. Nonetheless, the qualitative, physical nature of these relations is in the quantum case (entanglement) fundamentally different from the classical, metrical relations treated in general relativity theory. (shrink)

Molecular vibrations and quantum tunneling may link ligand binding to the function of pharmacological receptors. The well‐established lock‐and‐key model explains a ligand's binding and recognition by a receptor; however, a general mechanism by which receptors translate binding into activation, inactivation, or modulation remains elusive. The Vibration Theory of Olfaction was proposed in the 1930s to explain this subset of receptor‐mediated phenomena by correlating odorant molecular vibrations to smell, but a mechanism was lacking. In the 1990s, inelastic (...) electron tunneling was proposed as a plausible mechanism for translating molecular vibration to odorant physiology. More recently, studies of ligands’ vibrational spectra and the use of deuterated ligand analogs have provided helpful information to study this admittedly controversial hypothesis in metabotropic receptors other than olfactory receptors. In the present work, based in part on published experiments from our laboratory using planarians as an experimental organism, I will present a rationale and possible experimental approach for extending this idea to ligand‐gated ion channels. (shrink)

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, 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. (shrink)

There is consensus within the chemosciences that olfactory perception is of the molecular structure of chemical compounds, yet within philosophical theories of smell there is little agreement about the nature of smell. The paper critically assesses the current state of debate regarding smells within philosophy in the hopes of setting it upon firm scientific footing. The theories to be covered are: Naïve Realism, Hedonic Theories, Process Theory, Odor Theories, and non-Objectivist Theories. The aforementioned theories will be evaluated (...) based on their explanations of the (a) the olfactory quality of a smell, (b) smells as distal entities, and (c) our experience of smells as intentional objects. The paper concludes with a defense of Molecular Structure Theory that demonstrating its superiority in accounting for each of these three aspects of smell. (shrink)

We propose a theory for modeling concepts that uses the state-context-property theory (SCOP), a generalization of the quantum formalism, whose basic notions are states, contexts and properties. This theory enables us to incorporate context into the mathematical structure used to describe a concept, and thereby model how context influences the typicality of a single exemplar and the applicability of a single property of a concept. We introduce the notion `state of a concept' to account for (...) this contextual influence, and show that the structure of the set of contexts and of the set of properties of a concept is a complete orthocomplemented lattice. The structural study in this article is a preparation for a numerical mathematical theory of concepts in the Hilbert space of quantum mechanics that allows the description of the combination of concepts. (shrink)

Robin Hendry has presented an account of two equally valid ways of understanding the nature of chemical bonding, consisting of what the terms the structural and the energetic views respectively. In response, Weisberg has issued a “challenge to the structural view”, thus implying that the energetic view is the more correct of the two conceptions. In doing so Weisberg identifies the delocalization of electrons as the one robust feature that underlies the increasingly accurate quantum mechanical calculations starting with the (...) Heitler-London method and moving on to such approaches as the valence bond and molecular orbital theories of chemical bonding. The present article provides a critical evaluation of Weisberg’s article and concludes that he fails to characterize the nature of chemical bonding in several respects. I claim that Hendry’s structural and energetic views remain as equally viable ways of understanding chemical bonding. Whereas the structural view is more appropriate for chemists, the energetic view is preferable to physicists. Neither view is more correct unless one subscribes to the naively reductionist view of considering that the more physical energetic view is the more correct one. (shrink)

In this paper, I introduce an intrinsic account of the quantum state. This account contains three desirable features that the standard platonistic account lacks: (1) it does not refer to any abstract mathematical objects such as complex numbers, (2) it is independent of the usual arbitrary conventions in the wave function representation, and (3) it explains why the quantum state has its amplitude and phase degrees of freedom. -/- Consequently, this account extends Hartry Field’s program outlined in Science (...) Without Numbers (1980), responds to David Malament’s long-standing impossibility conjecture (1982), and establishes an important first step towards a genuinely intrinsic and nominalistic account of quantum mechanics. I will also compare the present account to Mark Balaguer’s (1996) nominalization of quantum mechanics and discuss how it might bear on the debate about “wave function realism.” In closing, I will suggest some possible ways to extend this account to accommodate spinorial degrees of freedom and a variable number of particles (e.g. for particle creation and annihilation). -/- Along the way, I axiomatize the quantum phase structure as what I shall call a “periodic difference structure” and prove a representation theorem as well as a uniqueness theorem. These formal results could prove fruitful for further investigation into the metaphysics of phase and theoretical structure. -/- (For a more recent version of this paper, please see "The Intrinsic Structure of Quantum Mechanics" available on PhilPapers.). (shrink)

Recent developments in computer science, particularly ”data-driven procedures“ have opened a new level of design and engineering. This has also affected architecture. The publication collects contributions on Coding as Literacy by computer scientists, mathematicians, philosophers, cultural theorists, and architects. The main focus in the book is the observation of computer-based methods that go beyond strictly case-based or problem-solution-oriented paradigms. This invites readers to understand Computational Procedures as being embedded in an overarching ”media literacy“ that can be revealed through, and acquired (...) by, ”computational literacy“, and to consider the data processed in the above-mentioned methods as being beneficial in terms of quantum physics. ”Self-Organizing Maps“ (SOM), which were first introduced over 30 years ago, will serve as the concrete reference point for all further discussions. (shrink)

In spite of the interference manifested in the double-slit experiment, quantum theory predicts that a measure of interference defined by Sorkin and involving various outcome probabilities from an experiment with three slits, is identically zero. We adapt Sorkin’s measure into a general operational probabilistic framework for physical theories, and then study its relationship to the structure of quantum theory. In particular, we characterize the class of probabilistic theories for which the interference measure is zero as (...) ones in which it is possible to fully determine the state of a system via specific sets of ‘two-slit’ experiments. (shrink)

Using a result of H. Hanche-Olsen, we show that (subject to fairly natural constraints on what constitutes a system, and on what constitutes a composite system), orthodox finite-dimensional complex quantum mechanics with superselection rules is the only non-signaling probabilistic theory in which (i) individual systems are Jordan algebras (equivalently, their cones of unnormalized states are homogeneous and self-dual), (ii) composites are locally tomographic (meaning that states are determined by the joint probabilities they assign to measurement outcomes on the (...) component systems) and (iii) at least one system has the structure of a qubit. Using this result, we also characterize finite dimensional quantum theory among probabilistic theories having the structure of a dagger-monoidal category. (shrink)

The paper sheds light from philosophical and methodological points of view on limitations, imposed on the building of the ontological basis of the theory of quantum gravitation by the quantum field theory: 1. this basis necessarily has to be a constantly fluctuating global dynamic field; 2. the field has to be locally excited and of quantum character, i.e, with local excitations subordinated to the principle of indeterminacy and the principle of canonic relationship between commutativeness and (...) noncommutativeness; 3. sufficient theoretical grounds are needed so that quantum theory of gravitation could justify the basic concepts of the structure of the quantum field theory. The analysis of these limitations should show which fundamental concepts and categories of the quantum field theory could in their transformed forms become a part of the ontological basis of the theory of quantum gravitation. (shrink)

We use the primitive ontology framework of Allori et al. to analyze the quantum information-theoretic interpretation of Bub and Pitowsky. There are interesting parallels between the two approaches, which differentiate them both from the more standard realist interpretations of quantum theory. Where they differ, however, is in terms of their commitments to an underlying ontology on which the manifest image of the world supervenes. Employing the primitive ontology framework in this way makes perspicuous the differences between the (...) quantum information-theoretic interpretation, and the various realist interpretations of quantum theory. It also allows us to identify a sense in which the commitments of quantum information-theoretic interpretation are underspecified. Several possible ways of completing the interpretation are presented, and it is suggested that the most likely strategy would leave the information-theoretic interpretation such that it would fail to qualify as a theory, according to the primitive ontology approach. (shrink)

Our interest focusses on the idea, that consciousness is a powerful acting entity. Up to now there does not exist a scientific concept for this idea. This is not due to problems within the field of psychology or brain research, but rather in resisting theories of modern physics. That is, why we have to search for a solution in the field of physics. A solution can be found in a new understanding of the basics of physical theory. That could (...) be given by abstract and absolute quantum bits of information. To avoid the popular misunderstanding of “information” as “meaningful” it was necessary to find a new word for the free-of-meaning AQI bits: the AQI bits establish a quantum pre-structure termed “Protyposis”, out of which real objects can be formed, starting from energetical and material elementary particles. The Protyposis AQI bits provide a pre-structure for all entities in natural sciences. They are the basic entities, whereof the physical nature of the brain, on the one hand, and the mental nature of consciousness, on the other hand, were formed during the cosmological and the following biological evolution. A deeper understanding of quantum structures may help to overcome the resistance against quantum theory in the field of brain research and consciousness. The key for an understanding is the concept of Protyposis, which means an abstract quantum information free of any definite meaning. With the AQI bits of the Protyposis, both, massless and massive quantum particles can be constructed. Even quantum information with special meanings, in example grammatically formulated thoughts, eventually could be explained. As long as the fundamental basis of quantum theory is misunderstood as being formed by a manifold of some small objects like atoms, quarks, or strings, the problem of understanding consciousness has no solution. If instead we understand quantum theory as based on truly simple quantum structures, there would be no longer fundamental problems for an understanding of consciousness. (shrink)

I propose a new class of interpretations, real world interpretations, of the quantum theory of closed systems. These interpretations postulate a preferred factorization of Hilbert space and preferred projective measurements on one factor. They give a mathematical characterisation of the different possible worlds arising in an evolving closed quantum system, in which each possible world corresponds to a (generally mixed) evolving quantum state. In a realistic model, the states corresponding to different worlds should be expected to (...) tend towards orthogonality as different possible quasiclassical structures emerge or as measurement-like interactions produce different classical outcomes. However, as the worlds have a precise mathematical definition, real world interpretations need no definition of quasiclassicality, measurement, or other concepts whose imprecision is problematic in other interpretational approaches. It is natural to postulate that precisely one world is chosen randomly, using the natural probability distribution, as the world realised in Nature, and that this world’s mathematical characterisation is a complete description of reality. (shrink)

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)

This thesis investigates the epistemological and metaphysical relations between chemistry and quantum mechanics. These relations are examined with respect to how chemistry and quantum mechanics each describe a single inert molecule. A review of how these relations are understood in the literature shows that there is a proliferation of positions which focus on how chemistry is separate from quantum mechanics. This proliferation is accompanied by a tendency within the philosophy of chemistry community to connect the legitimacy of (...) the field with the autonomy of chemistry. First, it is argued that this connection should not be made. Secondly, it is argued that chemistry and quantum mechanics are unified in accordance with Harold Kincaid’s model of non-reductive unity because the two theories exhibit particular epistemic and metaphysical interconnections. Thirdly, a metaphysical account is examined which is incompatible with Kincaid’s model of unity; namely strong emergence as understood by Robin Hendry. According to Hendry, the structure of a single inert molecule strongly emerges from its quantum mechanical entities in the sense that there is downward causation. However, Hendry’s defense of this account faces certain problems. Moreover, the putative empirical evidence for his understanding of strong emergence can be explained without invoking strong emergence. This is shown by considering how quantum mechanics assumes an idealized understanding of a molecule’s stability and structure. In the light of the philosophical literature on idealizations, this idealization can be interpreted in two different ways, both of which explain why quantum mechanics describes the structure of a single molecule the way it does, without assuming strong emergence in Hendry’s sense. Each interpretation has philosophical implications regarding the nature of chemical properties, and the relation of chemistry and quantum mechanics. These implications are consistent with Kincaid’s model of unity and thus further support chemistry’s unity with quantum mechanics (as per Kincaid). (shrink)

Mathematical Foundations of Quantum Theory is a collection of papers presented at the 1977 conference on the Mathematical Foundations of Quantum Theory, held in New Orleans. The contributors present their topics from a wide variety of backgrounds and specialization, but all shared a common interest in answering quantum issues. Organized into 20 chapters, this book's opening chapters establish a sound mathematical basis for quantum theory and a mode of observation in the double slit (...) experiment. This book then describes the Lorentz particle system and other mathematical structures with which fun ... (shrink)

A novel conceptual framework is introduced for the Complexity Levels Theory in a Categorical Ontology of Space and Time. This conceptual and formal construction is intended for ontological studies of Emergent Biosystems, Super-complex Dynamics, Evolution and Human Consciousness. A claim is defended concerning the universal representation of an item’s essence in categorical terms. As an essential example, relational structures of living organisms are well represented by applying the important categorical concept of natural transformations to biomolecular reactions and relational structures (...) that emerge from the latter in living systems. Thus, several relational theories of living systems can be represented by natural transformations of organismic, relational structures. The ascent of man and other living organisms through adaptation, is viewed in novel categorical terms, such as variable biogroupoid representations of evolving species. Such precise but flexible evolutionary concepts will allow the further development of the unifying theme of local-to-global approaches to highly complex systems in order to represent novel patterns of relations that emerge in super- and ultra-complex systems in terms of compositions of local procedures. Solutions to such local-to-global problems in highly complex systems with ‘broken symmetry’ might be possible to be reached with the help of higher homotopy theorems in algebraic topology such as the generalized van Kampen theorems (HHvKT). Categories of many-valued, Łukasiewicz-Moisil (LM) logic algebras provide useful concepts for representing the intrinsic dynamic ‘asymmetry’ of genetic networks in organismic development and evolution, as well as to derive novel results for (non-commutative) Quantum Logics. Furthermore, as recently pointed out by Baianu and Poli (Theory and applications of ontology, vol 1. Springer, Berlin, in press), LM-logic algebras may also provide the appropriate framework for future developments of the ontological theory of levels with its complex/entangled/intertwined ramifications in psychology, sociology and ecology. As shown in the preceding two papers in this issue, a paradigm shift towards non-commutative, or non-Abelian, theories of highly complex dynamics—which is presently unfolding in physics, mathematics, life and cognitive sciences—may be implemented through realizations of higher dimensional algebras in neurosciences and psychology, as well as in human genomics, bioinformatics and interactomics. (shrink)

In this article I examine several related views expressed by Robin Hendry concerning molecular structure, emergence and chemical bonding. There is a long-standing problem in the philosophy of chemistry arising from the fact that molecular structure cannot be strictly derived from quantum mechanics. Two or more compounds which share a molecular formula, but which differ with respect to their structures, have identical Hamiltonian operators within the quantum mechanical formalism. As a consequence, the properties (...) of all such isomers yield precisely the same calculated quantities such as their energies, dipole moments etc. The only means through which the difference between the isomers can be recovered is to build their structures into the quantum mechanical calculations, something that is carried out by the application of the Born-Oppenheimer approximation. Consequently, it has been argued by many authors that molecular structure is written in ‘by hand’ rather than derived. Robin Hendry is one such author, but he goes a great deal further by proposing that this situation implies the existence of emergence and downward causation. In the current article I argue that there are alternative explanations which render emergence and downward causation redundant. Such an alternative lies in the notion of quantum decoherence and the appeal to work in the foundations of physics, which posits that the various isomers exist as a superposition until their wavefunctions are collapsed either by observation or by interacting with their environment. Hendry also alludes to a debate among chemists as to whether chemical bonds are real or not, in the sense of directional connections between two or more nuclei in any given molecule. I reject this view and propose that the structural and energetic views of chemical bonding, that have been discussed by some philosophers of chemistry including Hendry, do not refer to any essential ontological differences. I agree that chemists view bonding in a more realistic fashion and may consider bonds to be in some senses real, while physicists may consider bonding in more abstract energetic terms. However, I do not believe that such differences in scientific practice and attitudes should be considered to offer a window as to the ontological status of bonding or whether bonding is real. Finally, I discuss the kinetic energy school of chemical bonding which would seem to challenge any notion of bonds as directional entities, since bonding is no longer regarded as being primarily due to the build-up of electron density between nuclei. (shrink)

Introduction -- Quantum information: basic relevant concepts and applications -- Theory -- Part I. Atomic processes -- Coulombic entanglement: one-step single photoionization of atoms -- Coulombic entanglement: one-step double photoinonization of atoms -- Coulombic entanglement: two-step double photoinonization of atoms -- Fine-structure entanglement: bipartite states of flying particlees with rest mass different from zero -- Bipartite states and flying electronic qubits -- Part II. Molecular processes -- One-step double photoionization of molecules -- Two-step double photoionization of (...) molecules -- Part III. Miscellaneous -- Conclusions and prospectives. (shrink)

It is argued that some elusive “entropic” characteristics of chemical bonds, e.g., bond multiplicities (orders), which connect the bonded atoms in molecules, can be probed using quantities and techniques of Information Theory (IT). This complementary perspective increases our insight and understanding of the molecular electronic structure. The specific IT tools for detecting effects of chemical bonds and predicting their entropic multiplicities in molecules are summarized. Alternative information densities, including measures of the local entropy deficiency or its displacement (...) relative to the system atomic promolecule, and the nonadditive Fisher information in the atomic orbital resolution(called contragradience) are used to diagnose the bonding patterns in illustrative diatomic and polyatomic molecules. The elements of the orbital communication theory of the chemical bond are briefly summarized and illustrated for the simplest case of the two-orbital model. The information-cascade perspective also suggests a novel, indirect mechanism of the orbital interactions in molecular systems, through “bridges” (orbital intermediates), in addition to the familiar direct chemical bonds realized through “space”, as a result of the orbital constructive interference in the subspace of the occupied molecular orbitals. Some implications of these two sources of chemical bonds in propellanes, π-electron systems and polymers are examined. The current–density concept associated with the wave-function phase is introduced and the relevant phase-continuity equation is discussed. For the first time, the quantum generalizations of the classical measures of the information content, functionals of the probability distribution alone, are introduced to distinguish systems with the same electron density, but differing in their current(phase) composition. The corresponding information/entropy sources are identified in the associated continuity equations. (shrink)

Much of our understanding of human thinking is based on probabilistic models. This innovative book by Jerome R. Busemeyer and Peter D. Bruza argues that, actually, the underlying mathematical structures from quantum theory provide a much better account of human thinking than traditional models. They introduce the foundations for modelling probabilistic-dynamic systems using two aspects of quantum theory. The first, 'contextuality', is a way to understand interference effects found with inferences and decisions under conditions of uncertainty. (...) The second, 'quantum entanglement', allows cognitive phenomena to be modeled in non-reductionist ways. Employing these principles drawn from quantum theory allows us to view human cognition and decision in a totally new light. Introducing the basic principles in an easy-to-follow way, this book does not assume a physics background or a quantum brain and comes complete with a tutorial and fully worked-out applications in important areas of cognition and decision. (shrink)

We summarize a new realist, unextravagant interpretation of quantum theory that builds on the existing physical structure of the theory and allows experiments to have definite outcomes but leaves the theory's basic dynamical content essentially intact. Much as classical systems have specific states that evolve along definite trajectories through configuration spaces, the traditional formulation of quantum theory permits assuming that closed quantum systems have specific states that evolve unitarily along definite trajectories through (...) Hilbert spaces, and our interpretation extends this intuitive picture of states and Hilbert-space trajectories to the more realistic case of open quantum systems despite the generic development of entanglement. Our interpretation—which we claim is ultimately compatible with Lorentz invariance—reformulates wave-function collapse in terms of an underlying interpolating dynamics, makes it possible to derive the Born rule from deeper principles, and resolves several open questions regarding ontological stability and dynamics. (shrink)

We introduce a realist, unextravagant interpretation of quantum theory that builds on the existing physical structure of the theory and allows experiments to have definite outcomes but leaves the theory’s basic dynamical content essentially intact. Much as classical systems have specific states that evolve along definite trajectories through configuration spaces, the traditional formulation of quantum theory permits assuming that closed quantum systems have specific states that evolve unitarily along definite trajectories through Hilbert (...) spaces, and our interpretation extends this intuitive picture of states and Hilbert-space trajectories to the more realistic case of open quantum systems despite the generic development of entanglement. We provide independent justification for the partial-trace operation for density matrices, reformulate wave-function collapse in terms of an underlying interpolating dynamics, derive the Born rule from deeper principles, resolve several open questions regarding ontological stability and dynamics, address a number of familiar no-go theorems, and argue that our interpretation is ultimately compatible with Lorentz invariance. Along the way, we also investigate a number of unexplored features of quantum theory, including an interesting geometrical structure—which we call subsystem space—that we believe merits further study. We conclude with a summary, a list of criteria for future work on quantum foundations, and further research directions. We include an appendix that briefly reviews the traditional Copenhagen interpretation and the measurement problem of quantum theory, as well as the instrumentalist approach and a collection of foundational theorems not otherwise discussed in the main text. (shrink)

This dissertation is about the sense in which the laws of quantum theory distinguish between the past and the future. I begin with an account of what it means for quantum theory to make such a distinction, by providing a novel derivation of the meaning of "time reversal." I then show that if Galilei invariant quantum theory does distinguish a preferred direction in time, then this has consequences for the ontology of the theory. (...) In particular, it requires matter to admit "internal" degrees of freedom, in that the position observable generates a maximal abelian algebra. I proceed to show that this is not a purely quantum phenomenon, but can be expressed in classical mechanics as well. I then illustrate three routes for generating quantum systems that distinguish a preferred temporal direction in this way. (shrink)

We develop and defend the thesis that the Hilbert space formalism of quantum mechanics is a new theory of probability. The theory, like its classical counterpart, consists of an algebra of events, and the probability measures defined on it. The construction proceeds in the following steps: (a) Axioms for the algebra of events are introduced following Birkhoff and von Neumann. All axioms, except the one that expresses the uncertainty principle, are shared with the classical event space. The (...) only models for the set of axioms are lattices of subspaces of inner product spaces over a field K. (b) Another axiom due to Soler forces K to be the field of real, or complex numbers, or the quaternions. We suggest a probabilistic reading of Soler's axiom. (c) Gleason's theorem fully characterizes the probability measures on the algebra of events, so that Born's rule is derived. (d) Gleason's theorem is equivalent to the existence of a certain finite set of rays, with a particular orthogonality graph (Wondergraph). Consequently, all aspects of quantum probability can be derived from rational probability assignments to finite "quantum gambles". (e) All experimental aspects of entanglement- the violation of Bell's inequality in particular- are explained as natural outcomes of the probabilistic structure. (f) We hypothesize that even in the absence of decoherence macroscopic entanglement can very rarely be observed, and provide a precise conjecture to that effect .We also discuss the relation of the present approach to quantum logic, realism and truth, and the measurement problem. (shrink)