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)

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)

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)

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)

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.

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

An investigation is made into how the foundations of statistical mechanics are affected once we treat classical mechanics as an approximation to quantum mechanics in certain domains rather than as a theory in its own right; this is necessary if we are to understand statistical-mechanical systems in our own world. Relevant structural and dynamical differences are identified between classical and quantum mechanics (partly through analysis of technical work on quantum chaos by other authors). These imply that (...) quantum mechanics significantly affects a number of foundational questions, including the nature of statistical probability and the direction of time. (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)

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)

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)

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)

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)

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)

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)

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)

We present a discrete model theory similar in structure to ordinary quantum mechanics, but based on a finite field instead of complex amplitudes. The interpretation of this theory involves only the “modal” concepts of possibility and necessity rather than quantitative probability measures. Despite its simplicity, our model theory includes entangled states and has versions of both Bell’s theorem and the no cloning theorem.

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)

The striking synthetic effort made by Bohr to unite radiation facts with atomic structure facts led to the formulation of his “quantum theory of atomic structure,” which with a large group of subsequent developments, is now usually referred to as the “classical quantum theory.” As a conceptual aid it takes over the idea of an “astronomical atom” consisting of a positive nucleus around which electrons revolve in definite orbits, more or less in the fashion (...) of the solar system. More or less. The similarities and differences as a bit of description are interesting and impressive, but when the theory is reduced to its postulates—and it is this which interests us here—it sounds very much like a re-statement of the Planckian decisions. (shrink)

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide (...) range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011. (shrink)

I offer an account of how the quantum theory we have helps us explain so much. The account depends on a pragmatist interpretation of the theory: this takes a quantum state to serve as a source of sound advice to physically situated agents on the content and appropriate degree of belief about matters concerning which they are currently inevitably ignorant. The general account of how to use quantum states and probabilities to explain otherwise puzzling regularities (...) is then illustrated by showing how we can explain single-particle interference phenomena, the stability of matter, and interference of Bose–Einstein condensates. Finally, I note some open problems and relate this account to alternative approaches to explanation that emphasize the importance of causation, of unification, and of structure. 1 Introduction2 Two Requirements on Explanations in Physics3 What We Can use Quantum Theory to Explain4 The Function of Quantum States and Born Probabilities5 How These Functions Contribute to the Explanatory Task6 Example One: Single-Particle Interference7 Example Two: Explanation of the Stability of Matter8 Example Three: Bose Condensation9 Conclusion. (shrink)

The aim of science is the explanation of complicated systems by reducing it to simple subsystems. According to a millennia-old imagination this will be attained by dividing matter into smaller and smaller pieces of it. The popular superstition that smallness implies simplicity seems to be ineradicable. However, since the beginning of quantum theory it would be possible to realize that the circumstances in nature are exactly the other way round. The idea “smaller becomes simpler” is useful only down (...) to the atoms of chemistry. Planck’s formula shows that smaller extensions are related to larger energies. That more and more energy should result in simpler and simpler structures, this does not only sound absurd, it is absurd. A reduction to really simple structures leads one to smallest energies and, thus, to utmost extended quantum systems. The simplest quantum structure, referred to as quantum bit, has a two-dimensional state space, and it establishes a cosmological structure. Taking many of such quantum bits allows also for the construction of localized particles. The non-localized fraction of quantum bits can appear as “dark matter”. (shrink)

What would it mean to apply quantum theory, without restriction and without involving any notion of measurement and state reduction, to the whole universe? What would realism about the quantum state then imply? This book brings together an illustrious team of philosophers and physicists to debate these questions. The contributors broadly agree on the need, or aspiration, for a realist theory that unites micro- and macro-worlds. But they disagree on what this implies. Some argue that if (...) unitary quantum evolution has unrestricted application, and if the quantum state is taken to be something physically real, then this universe emerges from the quantum state as one of countless others, constantly branching in time, all of which are real. The result, they argue, is many worlds quantum theory, also known as the Everett interpretation of quantum mechanics. No other realist interpretation of unitary quantum theory has ever been found. Others argue in reply that this picture of many worlds is in no sense inherent to quantum theory, or fails to make physical sense, or is scientifically inadequate. The stuff of these worlds, what they are made of, is never adequately explained, nor are the worlds precisely defined; ordinary ideas about time and identity over time are compromised; no satisfactory role or substitute for probability can be found in many worlds theories; they can't explain experimental data; anyway, there are attractive realist alternatives to many worlds. Twenty original essays, accompanied by commentaries and discussions, examine these claims and counterclaims in depth. They consider questions of ontology - the existence of worlds; probability - whether and how probability can be related to the branching structure of the quantum state; alternatives to many worlds - whether there are one-world realist interpretations of quantum theory that leave quantum dynamics unchanged; and open questions even given many worlds, including the multiverse concept as it has arisen elsewhere in modern cosmology. A comprehensive introduction lays out the main arguments of the book, which provides a state-of-the-art guide to many worlds quantum theory and its problems. (shrink)

In previous works we have established that the spacetime probabilistic organization of the quantum theory is determined by the spacetime characteristics of the operations by which the observer produces the objects to be studied (“states” of microsystems) and obtains qualifications of these. Guided by this first conclusion, we have then built a “general syntax of relativized conceptualization” where any description is explicitly and systematically referred to the two basic epistemic operations by which the conceptor introduces the object to (...) be qualified and then obtains qualifications of it. Inside this syntax there emerges a general typology of the relativized descriptions. Here we show that with respect to this typology the type of the predictive quantum mechanical descriptions acquires a precise definition. It appears that the quantum mechanical formalism has captured and has expressed directly in a mathematical language the most complex form in which can occur a first descriptional phase that lies universally at the bottom of any chain of conceptualization. The main features of the Hilbert-Dirac algorithms are decoded in terms of the general syntax of relativized conceptualization. This renders explicit the semantical contents of the quantum mechanical representations relating each one of these to its mathematical quantum mechanical expression. Basic insufficiencies are thus identified and, correlatively, false problems as well as answers to these, or guides toward answers. Globally the results obtained provide a basis for future attempts at a general mathematical representation of the processes of conceptualization. “Il pourrait, en effet, être dangereux pour l'avenir de la Physique qu'elle se contente trop facilement de purs formalismes, d'images floues et d'explications toutes verbales s'exprimant par des mots à signification imprécise”—Louis de Broglie,Certitudes et Incertitudes de la Science (Albin Michel, Paris, 1965). (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)