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)

Steven French and Decio Krause examine the metaphysical foundations of quantum physics. They draw together historical, logical, and philosophical perspectives on the fundamental nature of quantum particles and offer new insights on a range of important issues. Focusing on the concepts of identity and individuality, the authors explore two alternative metaphysical views; according to one, quantum particles are no different from books, tables, and people in this respect; according to the other, they most certainly are. Each view comes with certain (...) costs attached and after describing their origins in the history of quantum theory, the authors carefully consider whether these costs are worth bearing. Recent contributions to these discussions are analyzed in detail and the authors present their own original perspective on the issues. The final chapter suggests how this perspective can be taken forward in the context of quantum field theory. (shrink)

This book explains, in simple terms, with a minimum of mathematics, why things can appear to be in two places at the same time, why correlations between simultaneous events occurring far apart cannot be explained by local mechanisms, and why, nevertheless, the quantum theory can be understood in terms of matter in motion. No need to worry, as some people do, whether a cat can be both dead and alive, whether the moon is there when nobody looks at it, or (...) whether quantum systems need an observer to acquire definite properties. The author's inimitable and even humorous style makes the book a pleasure to read while bringing a new clarity to many of the longstanding puzzles of quantum physics. (shrink)

It is with great delight that I have accepted the unexpected invitation to edit this two part special issue of Foundations of Chemistry dedicated to the philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM) (Bader 1990). This theory has been primarily the oeuvre of Richard F. W. Bader (1931–2012), one of his most significant (but not the only significant) contributions to chemistry. Bader’s contributions have been summarized in a tribute (Matta et al. 2011) that appeared (...) in a recent Festschrift of The Journal of Physical Chemistry A (2011). This special issue of Foundations is neither a duplication, a complement, or an afterthought to that Festchrift, nor is it intended as another tribute to this great scientist, as deserving as he may be, instead it serves an entirely different purpose. This issue is focused principally on the epistemology and ontology of the science of QTAIM. The sort of questions that are addressed in, or that should emerge from. (shrink)

Our aim in this paper is to take quite seriously Heinz Post’s claim that the non-individuality and the indiscernibility of quantum objects should be introduced right at the start, and not made a posteriori by introducing symmetry conditions. Using a different mathematical framework, namely, quasi-set theory, we avoid working within a label-tensor-product-vector-space-formalism, to use Redhead and Teller’s words, and get a more intuitive way of dealing with the formalism of quantum mechanics, although the underlying logic should be modified. We build (...) a vector space with inner product, the Q-space, using the non-classical part of quasi-set theory, to deal with indistinguishable elements. Vectors in Q-space refer only to occupation numbers and permutation operators act as the identity operator on them, reflecting in the formalism the fact of unobservability of permutations. Thus, this paper can be regarded as a tentative to follow and enlarge Heinsenberg’s suggestion that new phenomena require the formation of a new “closed” (that is, axiomatic) theory, coping also with the physical theory’s underlying logic and mathematics. (shrink)