Chaos criterion for quantum field theory is proposed. Its accordance with classical chaos criterion is demonstrated in the semi-classical limit of quantum mechanics. Originally phenomenon of chaos was associated with problems of classical mechanics and statistical physics. Attempt of substantiation of statistical mechanics initiated intensive study of chaos and uncover its basic properties main...

here, the concept of quantum potential that has been illustrated in extended phase space (eps) in previous works is explored for its marginal behavior. unlike in configuration space, different representations of the quantum mechanics can be found in eps when exploiting appropriate canonical transformations. these canonical transformations revealed that there exist several representations in whi...

A theoretical study of the molecular mechanism of the thymidylate synthase-catalyzed reaction has been carried out using hybrid quantum mechanics/molecular mechanics methods. We have examined all of the stationary points (reactants, intermediates, transition structures, and products) on the multidimensional potential energy surfaces for the multistep enzymatic process. The characterization of t...

[This paper is part of the Focused Collection on Upper Division Physics Courses.] Compared with introductory physics, relatively little is known about the development of expertise in advanced physics courses, especially in the case of quantum mechanics. Here, we describe a framework for understanding the patterns of student reasoning difficulties and how students develop expertise in quantum me...

Purpose: The present study evaluated the following caffeoylquinic acids, Neochlorogenic acid (3-CQA), Cryptochlorogenic (4-CQA), Chlorogenic Acid (5-CQA), Isochlorogenic A (3,5-DCQA) B (3,4-DCQA) and C (4,5-DCQA) found in Brazilian green propolis, regarding its physicochemical, pharmacokinetic conformational characteristics. Additionally, compounds were explored on efficacy of inhibiting pharma...

We consider a class of phase space measures, which naturally arise in the Bohmian interpretation of quantum mechanics (when written in a Lagrangian form). We study the so-called classical limit of these Bohmian measures, in dependence on the scale of oscillations and concentrations of the sequence of wave functions under consideration. The obtained results are consequently compared to those der...

The paper seeks to make progress from stating primitive ontology theories of quantum physics – notably Bohmian mechanics, the GRW matter density theory and the GRW flash theory – to assessing these theories. Four criteria are set out: (a) internal coherence; (b) empirical adequacy; (c) relationship to other theories; (d) explanatory value. The paper argues that the stock objections against thes...

in this research, a semi empirical approach has been suggested for calculating the activation energyof unimolecular thermal decomposition of vinyl ethers yielding saturated products. the calculationprocedure is based on the use of molecular mechanics (mm) methods. these methods which involvethe construction of the transition state for a molecule mainly consider the formation of a “hydrogenbridg...

In this work we introduce the concept of Bures–Wasserstein barycenter Q∗, that is essentially a Fréchet mean some distribution P supported on subspace positive semi-definite d-dimensional Hermitian operators H+(d). We allow to be constrained affine H+(d), and provide conditions ensuring its existence uniqueness. also investigate convergence concentration properties an empirical counterpart Q∗ i...