arXiv subjects

R. M. Benito

Publications and source records attributed to R. M. Benito.

At least 19 recordsLinked to original sources

arXiv2026

Transition states and dynamical bottlenecks in the Li-NC <-> Li-CN isomerizing reaction with the Lagrangian betweenness

We study the vibrational dynamics that is responsible for Li-NC <-> Li-CN isomerization reaction using the Lagrangian betweenness, a tool recently developed to identify dynamical bottlenecks in the context of oceanographic transport. Following the spirit of the betweenness-centrality metric, which efficiently identifies the nodes that act as bottlenecks in complex networks, the Lagrangian betweenness is similarly capable to identify bottlenecks in dynamical systems. On the one hand, in this paper we show the ability of the Lagrangian betweenness to identify transition states, which are short-lived states that are formed at the top of the energetic barrier that the system must surpass in order to transition the reaction from the (initial) reactants to the (final) products. On the other hand, we also demonstrate that the Lagrangian betweenness is also able to identify other dynamical bottlenecks, and phase-space invariant structures such as manifolds, chains of islands and invariant tori, which are also responsible for the intricate vibrational dynamics of the system.

physics.chem-ph↗

arXiv2026

Using correlation diagrams to study the vibrational spectrum of highly nonlinear floppy molecules: The K-CN case

The correlation diagrams of vibrational energy levels considering the Planck constant as a variable parameter have proven as a very useful tool to study vibrational molecular states, and more specifically in relation to the quantum manifestations of chaos in such dynamical systems. In this paper, we consider the highly nonlinear K-CN molecule, showing how the regular classical structures, i.e., Kolmogorov-Arnold-Moser tori, existing in the mixed classical phase space appear in the quantum levels correlation diagram as emerging diabatic states, something that remains hidden when only the actual value of the Planck constant is considered. Additionally, a quantum transition from order to chaos is unveiled with the aid of these correlation diagrams, where it appears as a frontier of scarred functions.

nlin.CD↗

arXiv2026

Correspondence between classical and quantum resonances

Bifurcations take place in molecular Hamiltonian nonlinear systems as the excitation energy increases, this leading to the appearance of different classical resonances. In this paper, we study the quantum manifestations of these classical resonances in the isomerizing system CN-Li$\leftrightarrows$Li-CN. By using a correlation diagram of eigenenergies versus Planck constant, we show the existence of different series of avoided crossings, leading to the corresponding series of quantum resonances, which represent the quantum manifestations of the classical resonances. Moreover, the extrapolation of these series to $\hbar=0$ unveils the correspondence between the bifurcation energy of classical resonances and the energy of the series of quantum resonances in the semiclassical limit $\hbar\to0$. Additionally, in order to obtain analytical expressions for our results, a semiclassical theory is developed.

nlin.CD↗

arXiv2024

Bifurcations and phase-space structures in KCN molecular system

In this work, we analyze the evolution of the phase-space structures of KCN molecular system as a function of the vibrational energy using Lagrangian descriptors. For low energies, the motion is mostly regular around the absolute minimum of the potential energy surface. As the energy increases, the phase space combines regions with regular and chaotic motion, a difference that is well captured by the Lagrangian descriptors. We show that the dynamics is mostly governed by the invariant manifolds of the stretch periodic orbits located at the top of one of the energetic barriers of the system. Furthermore, we show a perfect agreement between the bifurcation theory and the differences observed in the phase-space structures as the vibrational energy is modified. The accuracy of our calculations is also assessed by explicit comparison with the invariant manifolds computed using linear dynamics.

nlin.CD↗

arXiv2021

Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors

In this paper, we apply Lagrangian descriptors to study the invariant manifolds that emerge from the top of two barriers existing in the LiCN<->LiNC isomerization reaction. We demonstrate that the integration times must be large enough compared with the characteristic stability exponents of the periodic orbit under study. The invariant manifolds manifest as singularities in the Lagrangian descriptors. Furthermore, we develop an equivalent potential energy surface with 2 degrees of freedom, which reproduces with a great accuracy previous results [Phys. Rev. E 99, 032221 (2019)]. This surface allows the use of an adiabatic approximation to develop a more simplified potential energy with solely 1 degree of freedom. The reduced dimensional model is still able to qualitatively describe the results observed with the original 2-degrees-of-freedom potential energy landscape. Likewise, it is also used to study in a more simple manner the influence on the Lagrangian descriptors of a bifurcation, where some of the previous invariant manifolds emerge, even before it takes place.

nlin.CD↗

arXiv2020

The short periodic orbit method for excited chaotic eigenfunctions

In this paper [published in Phys. Rev. E 102, 042210 (2020)], a new method for the calculation of excited chaotic eigenfunctions in arbitrary energy windows is presented. We demonstrate the feasibility of using wavefunctions localized on unstable periodic orbits as efficient basis sets for this task in classically chaotic systems. The number of required localized wavefunctions is only of the order of the ratio t H /t E , with t H the Heisenberg time and t E the Ehrenfest time. As an illustration, we present convincing results for a coupled two-dimensional quartic oscillator with chaotic dynamics.

quant-ph↗

arXiv2017

The role of short periodic orbits in quantum maps with continuous openings

We apply a recently developed semiclassical theory of short periodic orbits to the continuously open quantum tribaker map. In this paradigmatic system the trajectories are partially bounced back according to continuous reflectivity functions. This is relevant in many situations that include optical microresonators and more complicated boundary conditions. In a perturbative regime, the shortest periodic orbits belonging to the classical repeller of the open map - a cantor set given by a region of exactly zero reflectivity - prove to be extremely robust in supporting a set of long-lived resonances of the continuously open quantum maps. Moreover, for step like functions a significant reduction in the number needed is obtained, similarly to the completely open situation. This happens despite a strong change in the spectral properties when compared to the discontinuous reflectivity case.

quant-ph↗

arXiv2016

Rate calculation with correlated noise

The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory effects. In this paper, we develop a new method that permits the identification of reactive trajectories in a system under the action of a stochastic colored driving. This method is based on the perturbative computation of the invariant structures that act as separatrices for reactivity. Furthermore, using this perturbative scheme, we have obtained a formally exact expression for the reaction rate in multidimensional systems coupled to colored noisy environments.

nlin.CD↗

arXiv2016

Semiclassical basis sets for the computation of molecular vibrational states

In this paper, we extend a method recently reported [Phys. Rev. E 87, 042921 (2012)] for the calculation of the eigestates of classically highly chaotic systems to cases of mixed dynamics, i.e. those presenting regular and irregular motions at the same energy. The efficiency of the method, which is based on the use of a semiclassical basis set of localized wave functions, is demonstrated by applying it to the determination of the vibrational states of a realistic molecular system, namely the LiCN molecule.

quant-ph↗

arXiv2016

Transition State Theory for solvated reactions beyond recrossing-free dividing surfaces

The accuracy of rate constants calculated using transition state theory depends crucially on the correct identification of a recrossing--free dividing surface. We show here that it is possible to define such optimal dividing surface in systems with non--Markovian friction. However, a more direct approach to rate calculation is based on invariant manifolds and avoids the use of a dividing surface altogether, Using that method we obtain an explicit expression for the rate of crossing an anharmonic potential barrier. The excellent performance of our method is illustrated with an application to a realistic model for LiNC$\rightleftharpoons$LiCN isomerization.

nlin.CD↗

arXiv2016

Short periodic orbits theory for partially open quantum maps

We extend the semiclassical theory of short periodic orbits [Phys. Rev. E {\bf 80}, 035202(R) (2009)] to partially open quantum maps. They correspond to classical maps where the trajectories are partially bounced back due to a finite reflectivity $R$. These maps are representative of a class that has many experimental applications. The open scar functions are conveniently redefined, providing a suitable tool for the investigation of these kind of systems. Our theory is applied to the paradigmatic partially open tribaker map. We find that the set of periodic orbits that belong to the classical repeller of the open map ($R=0$) are able to support the set of long-lived resonances of the partially open quantum map in a perturbative regime. By including the most relevant trajectories outside of this set, the validity of the approximation is extended to a broad range of $R$ values. Finally, we identify the details of the transition from qualitatively open to qualitatively closed behaviour, providing an explanation in terms of short periodic orbits.

quant-ph↗

arXiv2015

The anatomy of urban social networks and its implications in the searchability problem

The appearance of large geolocated communication datasets has recently increased our understanding of how social networks relate to their physical space. However, many recurrently reported properties, such as the spatial clustering of network communities, have not yet been systematically tested at different scales. In this work we analyze the social network structure of over 25 million phone users from three countries at three different scales: country, provinces and cities. We consistently find that this last urban scenario presents significant differences to common knowledge about social networks. First, the emergence of a giant component in the network seems to be controlled by whether or not the network spans over the entire urban border, almost independently of the population or geographic extension of the city. Second, urban communities are much less geographically clustered than expected. These two findings shed new light on the widely-studied searchability in self-organized networks. By exhaustive simulation of decentralized search strategies we conclude that urban networks are searchable not through geographical proximity as their country-wide counterparts, but through an homophily-driven community structure.

physics.soc-ph↗

arXiv2015

Measuring Political Polarization: Twitter shows the two sides of Venezuela

We say that a population is perfectly polarized when divided in two groups of the same size and opposite opinions. In this paper, we propose a methodology to study and measure the emergence of polarization from social interactions. We begin by proposing a model to estimate opinions in which a minority of influential individuals propagate their opinions through a social network. The result of the model is an opinion probability density function. Next, we propose an index to quantify the extent to which the resulting distribution is polarized. Finally, we apply the proposed methodology to a Twitter conversation about the late Venezuelan president, Hugo Chávez, finding a good agreement between our results and offline data. Hence, we show that our methodology can detect different degrees of polarization, depending on the structure of the network.

physics.soc-ph↗

arXiv2015

Transition State Theory for dissipative systems without a dividing surface

Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when the reactive system is coupled to an environment. The calculations made in this way then overestimate the reaction rate and the results depend critically on the choice of the dividing surface. In this Letter, we study the phase space of a stochastically driven system close to an energetic barrier in order to identify the geometric structure unambiguously determining the reactive trajectories, which is then incorporated in a simple rate formula for reactions in condensed phase that is both independent of the dividing surface and exact.

physics.chem-ph↗

arXiv2014

Maximum population transfer in a periodically driven two-level system

We study the dynamics of a two-level quantum system under the influence of sinusoidal driving in the intermediate frequency regime. Analyzing the Floquet quasienergy spectrum, we find combinations of the field parameters for which population transfer is optimal and takes place through a series of well defined steps of fixed duration. We also show how the corresponding evolution operator can be approximated at all times by a very simple analytical expression. We propose this model as being specially suitable for treating periodic driving at avoided crossings found in complex multi-level systems, and thus show a relevant application of our results to designing a control protocol in a realistic molecular model

quant-ph↗

arXiv2014

Efficiency of Human Activity on Information Spreading on Twitter

Understanding the collective reaction to individual actions is key to effectively spread information in social media. In this work we define efficiency on Twitter, as the ratio between the emergent spreading process and the activity employed by the user. We characterize this property by means of a quantitative analysis of the structural and dynamical patterns emergent from human interactions, and show it to be universal across several Twitter conversations. We found that some influential users efficiently cause remarkable collective reactions by each message sent, while the majority of users must employ extremely larger efforts to reach similar effects. Next we propose a model that reproduces the retweet cascades occurring on Twitter to explain the emergent distribution of the user efficiency. The model shows that the dynamical patterns of the conversations are strongly conditioned by the topology of the underlying network. We conclude that the appearance of a small fraction of extremely efficient users results from the heterogeneity of the followers network and independently of the individual user behavior.

physics.soc-ph↗

arXiv2013

Characterizing and modeling an electoral campaign in the context of Twitter: 2011 Spanish Presidential Election as a case study

Transmitting messages in the most efficient way as possible has always been one of politicians main concerns during electoral processes. Due to the rapidly growing number of users, online social networks have become ideal platforms for politicians to interact with their potential voters. Exploiting the available potential of these tools to maximize their influence over voters is one of politicians actual challenges. To step in this direction, we have analyzed the user activity in the online social network Twitter, during the 2011 Spanish Presidential electoral process, and found that such activity is correlated with the election results. We introduce a new measure to study political support in Twitter, which we call the Relative Support. We have also characterized user behavior by analyzing the structural and dynamical patterns of the complex networks emergent from the mention and retweet networks. Our results suggest that the collective attention is driven by a very small fraction of users. Furthermore we have analyzed the interactions taking place among politicians, observing a lack of debate. Finally we develop a network growth model to reproduce the interactions taking place among politicians.

physics.soc-ph↗

arXiv2013

Using basis sets of scar functions

We present a method to efficiently compute the eigenfunctions of classically chaotic systems. The key point is the definition of a modified Gram-Schmidt procedure which selects the most suitable elements from a basis set of scar functions localized along the shortest periodic orbits of the system. In this way, one benefits from the semiclassical dynamical properties of such functions. The performance of the method is assessed by presenting an application to a quartic two dimensional oscillator whose classical dynamics are highly chaotic. We have been able to compute the eigenfunctions of the system using a small basis set. An estimate of the basis size is obtained from the mean participation ratio. A thorough analysis of the results using different indicators, such as eigenstate reconstruction in the local representation, scar intensities, participation ratios, and error bounds, is also presented.

quant-ph↗