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## Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade
Fonte: WILEY-BLACKWELL; HOBOKEN Publicador: WILEY-BLACKWELL; HOBOKEN
Tipo: Artigo de Revista Científica
ENG
Relevância na Pesquisa
65.72%
Some atomic multipoles (charges, dipoles and quadrupoles) from the Quantum Theory of Atoms in Molecules (QTAIM) and CHELPG charges are used to investigate interactions between a proton and a molecule (F2, Cl2, BF, AlF, BeO, MgO, LiH, H2CO, NH3, PH3, BF3, and CO2). Calculations were done at the B3LYP/6-311G(3d,3p) level. The main aspect of this work is the investigation of polarization effects over electrostatic potentials and atomic multipoles along a medium to long range of interaction distances. Large electronic charge fluxes and polarization changes are induced by a proton mainly when this positive particle approaches the least electronegative atom of diatomic heteronuclear molecules. The search for simple equations to describe polarization on electrostatic potentials from QTAIM quantities resulted in linear relations with r-4 (r is the interaction distance) for many cases. Moreover, the contribution from atomic dipoles to these potentials is usually the most affected contribution by polarization what reinforces the need for these dipoles to a minimal description of purely electrostatic interactions. Finally, CHELPG charges provide a description of polarization effects on electrostatic potentials that is in disagreement with physical arguments for certain of these molecules. (c) 2012 Wiley Periodicals...

## On the individuation of physical systems in quantum theory.

Hasse, Cael Louey
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55.89%
What theoretical structures characterise our notions of what it means for a whole physical system to be the sum of its parts? We explore various aspects of this question, with emphasise on quantum theory, from the following perspective: A physical theory constitutes the definition of a set of propositions with logical relationships between them such that probabilities can be used to judge the merits of the theory, given empirical evidence. The logical relationships between the propositions characterise our semantic notions such as individuation. We distinguish between the ontological and epistemological notions of individuation. We introduce the notion of ontological individuation within the context of ontological models. A subsystem is defined as a proposition that provides necessary and sufficient information for making useful predictions. This definition to some extent generalises the notions of separability and local causality to define systems that may not be local. It highlights the unified motivations for many assumptions in the literature, such as measurement independence, and points to hidden assumptions of causality and mutual exclusivity that occur when defining systems. An epistemic no-signalling criterion gives rise to a tensor product structure for epistemic systems in quantum theory. We utilise a symmetry emergent from this structure to derive a bound on the observability of a large class of operations...

## The black hole information problem beyond quantum theory

Mueller, Markus P.; Oppenheim, Jonathan; Dahlsten, Oscar C. O.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
The origin of black hole entropy and the black hole information problem provide important clues for trying to piece together a quantum theory of gravity. Thus far, discussions on this topic have mostly assumed that in a consistent theory of gravity and quantum mechanics, quantum theory will be unmodified. Here, we examine the black hole information problem in the context of generalisations of quantum theory. In particular, we examine black holes in the setting of generalised probabilistic theories, in which quantum theory and classical probability theory are special cases. We compute the time it takes information to escape a black hole, assuming that information is preserved. We find that under some very general assumptions, the arguments of Page (that information should escape the black hole after half the Hawking photons have been emitted), and the black-hole mirror result of Hayden and Preskill (that information can escape quickly) need to be modified. The modification is determined entirely by what we call the Wootters-Hardy parameter associated with a theory. We find that although the information leaves the black hole after enough photons have been emitted, it is fairly generic that it fails to appear outside the black hole at this point -- something impossible in quantum theory due to the no-hiding theorem. The information is neither inside the black hole...

## Quantum Theory as emergent from an undulatory translocal Sub-Quantum Level

Requardt, Manfred
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.88%
We argue that quantum theory is a low-energy effective theory which emerges from some sub-quantum level theory which is of an undulatory and translocal character. We show the close connection of quantum theory with both gravity and the holographic principle which are different phenomena of one and the same theory on this primordial level. An important role in our analysis is played by the concept of a generalized renormalization group connecting this primordial level and e.g. quantum theory plus a continuous space-time. We show that characteristic phenomena like the seemingly instantaneous state reduction, the EPR-paradox or the problem of polydimensions can be understood in our undulatory translocal theory in a realistic way. Most importantly, we give a realistic interpretation of the phasefunction as a collective action variable in the spirit of Bohm and explain the emergence of a macroscopic notion of time.; Comment: 32 pages, Latex

## Some Reflections on the Status of Conventional Quantum Theory when Applied to Quantum Gravity

Isham, C. J.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
All current approaches to quantum gravity employ essentially standard quantum theory including, in particular, continuum quantities such as the real or complex numbers. However, I wish to argue that this may be fundamentally wrong in so far as the use of these continuum quantities in standard quantum theory can be traced back to certain {\em a priori} assumptions about the nature of space and time: assumptions that may be incompatible with the view of space and time adopted by a quantum gravity theory. My conjecture is that in, some yet to be determined sense, to each type of space-time there is associated a corresponding type of quantum theory in which continuum quantities do not necessarily appear, being replaced with structures that are appropriate to the specific space-time. Topos theory then arises as a possible tool for gluing' together these different theories associated with the different space-times. As a concrete example of the use of topos ideas, I summarise recent work applying presheaf theory to the Kochen-Specher theorem and the assignment of values to physical quantities in a quantum theory.; Comment: Latex2e

## Higher-order interference in extensions of quantum theory

Lee, Ciarán M.; Selby, John H.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.92%
Quantum interference lies at the heart of several quantum computational speed-ups and provides a striking example of a phenomenon with no classical counterpart. An intriguing feature of quantum interference arises in a three slit experiment. In this set-up, the interference pattern can be written in terms of the two and one slit patterns obtained by blocking some of the slits. This is in stark contrast with the standard two slit experiment, where the interference pattern is irreducible. This was first noted by Rafael Sorkin, who asked why quantum theory only exhibits irreducible interference in the two slit experiment. One approach to this problem is to compare the predictions of quantum theory to those of operationally-defined foil' theories, in the hope of determining whether theories exhibiting higher-order interference suffer from pathological -- or at least undesirable -- features. In this paper two proposed extensions of quantum theory are considered: the theory of Density Cubes proposed by Dakic, Paterek and Brukner, which has been shown to exhibit irreducible interference in the three slit set-up, and the Quartic Quantum Theory of Zyczkowski. The theory of Density Cubes will be shown to provide an advantage over quantum theory in a certain computational task and to posses a well-defined mechanism which leads to the emergence of quantum theory -- analogous to the emergence of classical physics from quantum theory via decoherence. Despite this...

## Causal Quantum Theory and the Collapse Locality Loophole

Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.92%
Causal quantum theory is an umbrella term for ordinary quantum theory modified by two hypotheses: state vector reduction is a well-defined process, and strict local causality applies. The first of these holds in some versions of Copenhagen quantum theory and need not necessarily imply practically testable deviations from ordinary quantum theory. The second implies that measurement events which are spacelike separated have no non-local correlations. To test this prediction, which sharply differs from standard quantum theory, requires a precise theory of state vector reduction. Formally speaking, any precise version of causal quantum theory defines a local hidden variable theory. However, causal quantum theory is most naturally seen as a variant of standard quantum theory. For that reason it seems a more serious rival to standard quantum theory than local hidden variable models relying on the locality or detector efficiency loopholes. Some plausible versions of causal quantum theory are not refuted by any Bell experiments to date, nor is it obvious that they are inconsistent with other experiments. They evade refutation via a neglected loophole in Bell experiments -- the {\it collapse locality loophole} -- which exists because of the possible time lag between a particle entering a measuring device and a collapse taking place. Fairly definitive tests of causal versus standard quantum theory could be made by observing entangled particles separated by $\approx 0.1$ light seconds.; Comment: Discussion expanded; typos corrected; references added

## A Realistic Deterministic Quantum Theory Using Borelian-Normal Numbers

Palmer, T. N.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.9%
The elements of a deterministic quantum theory are developed, which reformulates and extends standard quantum theory. The proposed theory is `realistic' in the sense that in it, a general M-level quantum state is represented by a single real number r. Surprising as it may seem, this real number is shown to contain the same probabilistic information as the standard Hilbert-space state, plus additional information from which measurement outcome is determined. A crucial concept in achieving this is that of Borelian (number-theoretic) normality. The essential role of complex numbers in standard quantum theory is subsumed by the action of a set of self-similar permutation operators on the digits and places of the base-M expansion of a base-M Borelian-normal r; these permutation operators are shown to have complex structure and leave invariant the normality of the underlying real number. The set of real numbers generated by these permutations defines not only the Hilbert space of standard quantum theory, but also, in addition, the sample space from which quantum measurement outcomes can be objectively determined. Dynamical real-number state reduction is precisely described by deterministic number-theoretic operators that reduce the degree of normality of r; from the degree of normality one can infer the standard quantum-theoretic trace rule for measurement probability. All the foundational difficulties of standard quantum theory are described in terms of the proposed theory. It is shown that the real-number states of the proposed theory are precisely its beables.; Comment: 38 pages...

## The trouble with orbits: the Stark effect in the old and the new quantum theory

Duncan, Anthony; Janssen, Michel
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.9%
The old quantum theory and Schr\"odinger's wave mechanics (and other forms of quantum mechanics) give the same results for the line splittings in the first-order Stark effect in hydrogen, the leading terms in the splitting of the spectral lines emitted by a hydrogen atom in an external electric field. We examine the account of the effect in the old quantum theory, which was hailed as a major success of that theory, from the point of view of wave mechanics. First, we show how the new quantum mechanics solves a fundamental problem one runs into in the old quantum theory with the Stark effect. It turns out that, even without an external field, it depends on the coordinates in which the quantum conditions are imposed which electron orbits are allowed in a hydrogen atom. The allowed energy levels and hence the line splittings are independent of the coordinates used but the size and eccentricity of the orbits are not. In the new quantum theory, this worrisome non-uniqueness of orbits turns into the perfectly innocuous non-uniqueness of bases in Hilbert space. Second, we review how the so-called WKB (Wentzel-Kramers-Brillouin) approximation method for solving the Schr\"odinger equation reproduces the quantum conditions of the old quantum theory amended by some additional half-integer terms. These extra terms remove the need for some arbitrary extra restrictions on the allowed orbits that the old quantum theory required over and above the basic quantum conditions

## Generalized Galilean Transformations and the Measurement Problem in the Entropic Dynamics Approach to Quantum Theory

Johnson, David T.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
Quantum mechanics is an extremely successful and accurate physical theory, yet since its inception, it has been afflicted with numerous conceptual difficulties. The primary subject of this thesis is the theory of entropic quantum dynamics (EQD), which seeks to avoid these conceptual problems by interpreting quantum theory from an informational perspective. We begin by reviewing probability theory as a means of rationally quantifying uncertainties. We then discuss how probabilities can be updated with the method of maximum entropy (ME). We then review some motivating difficulties in quantum mechanics before discussing Caticha's work in deriving quantum theory from the approach of entropic dynamics. After entropic dynamics is introduced, we develop the concepts of symmetries and transformations from an informational perspective. The primary result is the formulation of a symmetry condition that any transformation must satisfy in order to qualify as a symmetry in EQD. We then proceed to apply this condition to the extended Galilean transformation. This transformation is of interest as it exhibits features of both special and general relativity. The transformation yields a gravitational potential that arises from an equivalence of information. We conclude the thesis with a discussion of the measurement problem in quantum mechanics. We discuss the difficulties that arise in the standard quantum mechanical approach to measurement before developing our theory of entropic measurement. In entropic dynamics...

## Topos Quantum Theory Reduced by Context-Selection Functors

Nakayama, Kunji
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
In this paper, we deal with quantum theories on presheaves and sheaves on context categories consisting of commutative von Neumann algebras of bounded operators on a Hilbert space, from two viewpoints. One is to reduce presheaf-based topos quantum theory via sheafification, and the other is to import quantum probabilities to the reduced sheaf quantum theory. The first is done by means of a functor that selects some expedient contexts. It defines a Grothendieck topology on the category consisting of all contexts, hence, induces a sheaf topos on which we construct a downsized quantum theory. Also, we show that the sheaf quantum theory can be replaced by an equivalent, more manageable presheaf quantum theory. Quantum probabilities are imported by means of a Grothendieck topology that is defined on a category consisting of probabilities and enables to regard them as intuitionistic truth-values. From these topologies, we construct another Grothendieck topology that is defined on the product of the context category and the probability category and reflects the selection of contexts and the identification of probabilities with truth-values. We construct a quantum theory equipped with quantum probabilities as truth-values on the sheaf topos induced by the Grothendieck topology.; Comment: 38pages

## Quantum theory and the role of mind in nature

Stapp, Henry P.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.9%
Orthodox Copenhagen quantum theory renounces the quest to understand the reality in which we are imbedded, and settles for practical rules describing connections between our observations. Many physicist have regarded this renunciation of our effort to describe nature herself as premature, and John von Neumann reformulated quantum theory as a theory of an evolving objective universe interacting with human consciousness. This interaction is associated both in Copenhagen quantum theory and in von Neumann quantum theory with a sudden change that brings the objective physical state of a system in line with a subjectively felt psychical reality. The objective physical state is thereby converted from a material substrate to an informational and dispositional substrate that carries both the information incorporated into it by the psychical realities, and certain dispositions for the occurrence of future psychical realities. The present work examines and proposes solutions to two problems that have appeared to block the development of this conception of nature. The first problem is how to reconcile this theory with the principles of relativistic quantum field theory; the second problem is to understand whether, strictly within quantum theory...

## Quantum theory without Hilbert spaces

Anastopoulos, Charis
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
Quantum theory does not only predict probabilities, but also relative phases for any experiment, that involves measurements of an ensemble of systems at different moments of time. We argue, that any operational formulation of quantum theory needs an algebra of observables and an object that incorporates the information about relative phases and probabilities. The latter is the (de)coherence functional, introduced by the consistent histories approach to quantum theory. The acceptance of relative phases as a primitive ingredient of any quantum theory, liberates us from the need to use a Hilbert space and non-commutative observables. It is shown, that quantum phenomena are adequately described by a theory of relative phases and non-additive probabilities on the classical phase space. The only difference lies on the type of observables that correspond to sharp measurements. This class of theories does not suffer from the consequences of Bell's theorem (it is not a theory of Kolmogorov probabilities) and Kochen- Specker's theorem (it has distributive "logic"). We discuss its predictability properties, the meaning of the classical limit and attempt to see if it can be experimentally distinguished from standard quantum theory. Our construction is operational and statistical...

## Toy Model for a Relational Formulation of Quantum Theory

Poulin, David
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.91%
In the absence of an external frame of reference physical degrees of freedom must describe relations between systems. Using a simple model, we investigate how such a relational quantum theory naturally arises by promoting reference systems to the status of dynamical entities. Our goal is to demonstrate using elementary quantum theory how any quantum mechanical experiment admits a purely relational description at a fundamental level, from which the original "non-relational" theory emerges in a semi-classical limit. According to this thesis, the non-relational theory is therefore an approximation of the fundamental relational theory. We propose four simple rules that can be used to translate an "orthodox" quantum mechanical description into a relational description, independent of an external spacial reference frame or clock. The techniques used to construct these relational theories are motivated by a Bayesian approach to quantum mechanics, and rely on the noiseless subsystem method of quantum information science used to protect quantum states against undesired noise. The relational theory naturally predicts a fundamental decoherence mechanism, so an arrow of time emerges from a time-symmetric theory. Moreover, there is no need for a "collapse of the wave packet" in our model: the probability interpretation is only applied to diagonal density operators. Finally...

## The de Broglie-Bohm pilot-wave interpretation of quantum theory

Struyve, W.
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.91%
In this thesis we study the de Broglie-Bohm pilot-wave interpretation of quantum theory. We consider the domain of non-relativistic quantum theory, relativistic quantum theory and quantum field theory, and in each domain we consider the possibility of formulating a pilot-wave interpretation. For non-relativistic quantum theory a pilot-wave interpretation in terms of particle beables can readily be formulated. But this interpretation can in general not straightforwardly be generalized to relativistic wave equations. The problems which prevent us from devising a pilot-wave interpretation for relativistic wave equations also plague the standard quantum mechanical interpretation, where these problems led to the conception of quantum field theory. Therefore most of our attention is focussed on the construction of a pilot-wave interpretation for quantum field theory. We thereby favour the field beable approach, developed amongst others by Bohm, Hiley, Holland, Kaloyerou and Valentini. Although the field beable approach can be successfully applied to bosonic quantum field theory, it seems not straightforward to do so for fermionic quantum field theory.; Comment: Ph.D. thesis, Ghent University, October 2004, 171 pages, 3 figures, LaTex (revised...

## Formalism Locality in Quantum Theory and Quantum Gravity

Hardy, Lucien
Tipo: Artigo de Revista Científica
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55.89%
We expect a theory of Quantum Gravity to be both probabilistic and have indefinite causal structure. Indefinite causal structure poses particular problems for theory formulation since many of the core ideas used in the usual approaches to theory construction depend on having definite causal structure. For example, the notion of a state across space evolving in time requires that we have some definite causal structure so we can define a state on a space-like hypersurface. We will see that many of these problems are mitigated if we are able to formulate the theory in a "formalism local" (or F-local) fashion. A formulation of a physical theory is said to be F-local if, in making predictions for any given arbitrary space-time region, we need only refer to mathematical objects pertaining to that region. This is a desirable property both on the grounds of efficiency and since, if we have indefinite causal structure, it is not clear how to select some other space-time region on which our calculations may depend. The usual ways of formulating physical theories (the time evolving state picture, the histories approach, and the local equations approach) are not F-local. We set up a framework for probabilistic theories with indefinite causal structure. This...

## Toward a Quantum theory of Gravity and a Resolution of the Time paradox

Tetteh-Lartey, Edward
Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%
One of the major issues confronting theoretical physics is finding a quantum theory of gravity and a resolution to the cosmological constant problem. It is believed that a true quantum theory of gravity will lead to a solution to the this problem. Finding a quantum theory of gravity has been a difficult issue mainly because of the high energy scale required for testing quantum gravity which is far the reach of current accelerators. Also general relativity does not possess a natural time variable thus the nature of time is not clear in quantum gravity, a problem called the time paradox. The two main approaches are string theory and loop quantum gravity. String theory unifies all interaction but provides a perturbative background dependent formulation which violates general covariance. Loop quantum gravity provides a non-perturbative approach but does not provide a unified theory of interactions, which most physicist believe should be the case at Planck scale energies. It doesn't also seem to connect with low energy phenomena. In this note I look at how quantum cosmology provides useful inference toward a quantum gravity theory by merging inputs from the perturbative and the non-perturbative approaches, and resolving the time paradox issue.; Comment: 6 pages no figure. Minor corrections

## Interpretations of quantum theory: A map of madness

Tipo: Artigo de Revista Científica
Relevância na Pesquisa
55.89%

## Quantum Theory and Beyond: Is Entanglement Special?

Dakic, Borivoje; Brukner, Caslav
Tipo: Artigo de Revista Científica