Transition state theory with Tsallis statistics

We discuss the rate of an elementary chemical reaction. We use the reaction path and especially its saddle point on the potential energy surface. The reaction path connects reactant and product of a reaction over the transition state (TS). Usually, the TS is assumed near or at the single saddle point of the reaction path. By means of comparison of the statistics of states at the reactant and at the TS, one can estimate the reaction rate by the Eyring theory. We propose to use the Tsallis statistics at the TS, a statistics of seldom accidents. Thus, we propose to generalize the well‐known Boltzmann–Gibbs statistics, which is the limiting case of the Tsallis statistics. We use features of this nonextensive thermostatistics. The basic properties of the statistics are used to derive (approximated) partition functions, and they are applied on reaction rates. The approximation includes a factorization of the partition functions. The theory is applied to HCN isomerization to HNC, and to the reaction H₂ + CN → H + HCN. It allows an accordance with experimental estimations of the reaction rates. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

A nonextensive maximum entropy approach to a family of nonlinear reaction–diffusion equations

We consider a monoparametric family of reaction–diffusion equations endowed with both a nonlinear diffusion term and a nonlinear reaction one that possess exact time-dependent particular solutions of the Tsallis’ maximum entropy (MaxEnt) form. The evolution of these solutions is governed by a system of three coupled nonlinear ordinary differential equations that are integrated numerically. A simple population dynamics interpretation provides a qualitative understanding of the behaviour of the q-MaxEnt solutions. When the reaction term vanishes the time-dependent distributions studied here reduce to the previously known Tsallis’ MaxEnt solutions for the nonlinear diffusion equation.     

密度泛函活性理论中的Rényi熵, Tsallis熵和Onicescu信息能

根据密度泛函理论,分子的电子密度确定了该体系基态下的所有性质,其中包括结构和反应活性.如何运用电子密度泛函有效地预测分子反应活性仍然是一个有待解决的难题.密度泛函活性理论(DFRT)倾力打造这样一个理论和概念架构,使得运用电子密度以及相关变量准确地预测分子的反应特性成为可能.信息理论方法的香农熵和费舍尔信息就是这样的密度泛函,研究表明,它们均可作为反应活性的有效描述符.本文将在DFRT框架中介绍和引进三个密切相关的描述符, Rényi熵、Tsallis熵和Onicescu信息能.我们准确地计算了它们在一些中性原子和分子中的数值并讨论了它们随电子数量和电子总能量的变化规律.此外,以第二阶Onicescu信息能为例,在分子和分子中的原子两个层面上,系统地考察了其随乙烷二面角旋转的变化模式.这些新慨念的引入将为我们深入洞察和预测分子的结构和反应活性提供额外的描述工具.     

Dynamics of coherence-induced state ordering under Markovian channels

We study the dynamics of coherence-induced state ordering under incoherent channels, particularly four specific Markovian channels: amplitude damping channel, phase damping channel, depolarizing channel and bit flit channel for single-qubit states. We show that the amplitude damping channel, phase damping channel, and depolarizing channel do not change the coherence-induced state ordering by l₁ norm of coherence, relative entropy of coherence, geometric measure of coherence, and Tsallis relative α-entropies, while the bit flit channel does change for some special cases.     

The energy distribution of an ion in a radiofrequency trap interacting with a nonuniform neutral buffer gas

An ion in a radiofrequency (rf) trap sympathetically cooled by a simultaneously trapped neutral buffer gas exhibits deviations from thermal statistics caused by collision-induced coupling of the rf field to the ion motion. For a uniform density distribution of the buffer gas, the energy distribution of the ion can be described by Tsallis statistics. Moreover, runaway heating of the ion occurs if the buffer gas particles are sufficiently heavy relative to the ion. In typical experiments, however, ultracold buffer gases are confined in traps resulting in localised, non-uniform density distributions. Using a superstatistical approach, we develop an analytical model for an ion interacting with a localised buffer gas. We demonstrate theoretically that limiting collisions to the centre of the ion trap enables cooling at far greater mass ratios than achievable using a uniform buffer gas, but that an upper limit to the usable mass ratio exists even in this case. Furthermore, we analytically derive the functional form of the energy distribution for an ion interacting with a buffer gas held in a harmonic potential. The analytical distribution obtained is found to be in excellent agreement with the results of numerical simulations.     

Is X(3872) a bound state?

All existing experimental evidence for the bound state nature of X(3872) relies on observing its decay products,which are measured with a finite experimental mass resolution that is typically △m≥2 MeV,and much larger than its alleged binding energy,B_X=0.00(18) MeV.On the other hand,we have found recently that there is a clear cancellation in the 1~(++) channel of the invariant DD~*mass around the threshold between continuum and the bound state.This is very much like a similar cancellation in the proton-neutron continuum with the deuteron in the1~(++) channel.Based on comparative fits with a common Tsallis distribution of the experimental cross-sections for prompt production of deuterons and X(3872) in pp collisions with a finite p_T,we find a strong argument for questioning the bound state nature of this state,which also suggests that the large observed production rate could be consistent with a half-bound state.     

Pathway model,superstatistics, Tsallis statistics,and a generalized measure of entropy

The pathway model of Mathai [A pathway to matrix-variate gamma and normal densities, Linear Algebra Appl. 396 (2005) 317–328] is shown to be inferable from the maximization of a certain generalized entropy measure. This entropy is a variant of the generalized entropy of order α$\alpha$, considered in Mathai and Rathie [Basic Concepts in Information Theory and Statistics: Axiomatic Foundations and Applications, Wiley Halsted, New York and Wiley Eastern, New Delhi, 1975], and it is also associated with Shannon, Boltzmann–Gibbs, Rényi, Tsallis, and Havrda–Charvát entropies. The generalized entropy measure introduced here is also shown to have interesting statistical properties and it can be given probabilistic interpretations in terms of inaccuracy measure, expected value, and information content in a scheme. Particular cases of the pathway model are shown to be Tsallis statistics [C. Tsallis, Possible generalization of Boltzmann-Gibbs statistics, J. Stat. Phys. 52 (1988) 479–487] and superstatistics introduced by Beck and Cohen [Superstatistics, Physica A 322 (2003) 267–275]. The pathway model's connection to fractional calculus is illustrated by considering a fractional reaction equation.     

Nonextensive statistical features of the Polish stock market fluctuations

The statistics of return distributions on various time scales constitutes one of the most informative characteristics of the financial dynamics. Here, we present a systematic study of such characteristics for the Polish stock market index WIG20 over the period 04.01.1999–31.10.2005 for the time lags ranging from 1min$1\min$ up to 1 h. This market is commonly classified as emerging. Still on the shortest time scales studied we find that the tails of the return distributions are consistent with the inverse cubic power law, as identified previously for majority of the mature markets. Within the time scales studied, a quick and considerable departure from this law towards a Gaussian can however be traced. Interestingly, all the forms of the distributions observed can be comprised by the single q-Gaussians which provide a satisfactory and at the same time compact representation of the distribution of return fluctuations over all magnitudes of their variation. The corresponding nonextensivity parameter q was found to systematically decrease when increasing the time scales. The temporal correlations quantified here in terms of multifractality provide further arguments in favor of nonextensivity.     

Escort entropies and divergences and related canonical distribution

We discuss two families of two-parameter entropies and divergences, derived from the standard Rényi and Tsallis entropies and divergences. These divergences and entropies are found as divergences or entropies of escort distributions. Exploiting the nonnegativity of the divergences, we derive the expression of the canonical distribution associated to the new entropies and a observable given as an escort-mean value. We show that this canonical distribution extends, and smoothly connects, the results obtained in nonextensive thermodynamics for the standard and generalized mean value constraints.     

Tsallis entropy measure of noise-aided information transmission in a binary channel

Noise-aided information transmission via stochastic resonance is shown and analyzed in a binary channel by means of information measures based on the Tsallis entropy. The analysis extends the classic reference of binary information transmission based on the Shannon entropy, and also parallels a recent study based on the Rényi entropy. The conditions for a maximally pronounced stochastic resonance identify optimal Tsallis measures. The study involves a correspondence between Tsallis and Rényi information measures, specially relevant to the characterization of stochastic resonance, and establishing that for such effects identical properties are shared in common by both Tsallis and Rényi measures.