Vibrationally Induced Decoherence in Single-Molecule Junctions

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic processes lead, in general, to a quenching of quantum interference effects. This quenching is more pronounced for increasing bias voltages and levels of vibrational excitation. As a result of this vibrationally induced decoherence, vibrational signatures in the transport characteristics of a molecular contact may strongly deviate from a simple Franck-Condon picture. This includes signatures in both the resonant and the non-resonant transport regime. Moreover, it is shown that local cooling by electron-hole pair creation processes can influence the transport characteristics profoundly, giving rise to a significant temperature dependence of the electrical current.Comment: 53 pages, 18 figures, revised version (including more data

Rapidity-Dependent Jet Vetoes

Jet vetoes are a prominent part of the signal selection in various analyses at the LHC. We discuss jet vetoes for which the transverse momentum of a jet is weighted by a smooth function of the jet rapidity. With a suitable choice of the rapidity-weighting function, such jet-veto variables can be factorized and resummed allowing for precise theory predictions. They thus provide a complementary way to divide phase space into exclusive jet bins. In particular, they provide a natural and theoretically clean way to implement a tight veto on central jets with the veto constraint getting looser for jets at increasingly forward rapidities. We mainly focus our discussion on the 0-jet case in color-singlet processes, using Higgs production through gluon fusion as a concrete example. For one of our jet-veto variables we compare the resummed theory prediction at NLL'+NLO with the recent differential cross section measurement by the ATLAS experiment in the $H\to\gamma\gamma$ channel, finding good agreement. We also propose that these jet-veto variables can be measured and tested against theory predictions in other SM processes, such as Drell-Yan, diphoton, and weak diboson production.Comment: 17 pages, 8 figure

lordif: An R Package for Detecting Differential Item Functioning Using Iterative Hybrid Ordinal Logistic Regression/Item Response Theory and Monte Carlo Simulations

Logistic regression provides a flexible framework for detecting various types of differential item functioning (DIF). Previous efforts extended the framework by using item response theory (IRT) based trait scores, and by employing an iterative process using group--specific item parameters to account for DIF in the trait scores, analogous to purification approaches used in other DIF detection frameworks. The current investigation advances the technique by developing a computational platform integrating both statistical and IRT procedures into a single program. Furthermore, a Monte Carlo simulation approach was incorporated to derive empirical criteria for various DIF statistics and effect size measures. For purposes of illustration, the procedure was applied to data from a questionnaire of anxiety symptoms for detecting DIF associated with age from the Patient--Reported Outcomes Measurement Information System.

Une nouvelle grille d'analyse pour le contrôle de gestion hospitalier : le contrôle intégré de Simons

International audienceThis paper aims to analyze the evolution of hospital management control in the current context of reforms (prospective payment system and clinical directorates). This evolution raises questions about the relevance of concepts recently highlighted in the literature and about the adaptability of the conceptual framework of Simons in the hospital context. This case study research compares field practices to Simons' model and shows that this approach can be of great interest in the hospital context.Cette communication a pour but d'analyser l'évolution du contrôle de gestion hospitalier dans le contexte actuel des réformes de la tarification à l'activité et de la nouvelle gouvernance. Cette évolution conduit à s'interroger sur la pertinence des concepts récemment mis en exergue dans la littérature et sur l'adaptabilité du cadre conceptuel de Simons au contexte hospitalier. Fondée sur une étude de cas, cette recherche confronte les pratiques de terrain au modèle de Simons et montre que cette approche peut présenter un grand intérêt dans le contexte des établissements de santé

Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations

This work describes the decay mechanism of photoexcited thiourea, both in gas phase and in solution, from the information inferred from the topography of the excited and ground state potential energy surfaces and mixed singlet/triplet quantum classical molecular dynamics simulations. Our gas phase results reveal T1/S0 intersystem crossing as the dominant (49%) intrinsic decay channel to the ground state, which reaches a population of 0.28 at the final time of our simulations (10 ps). Population of the T1, would occur after internal conversion to the S1 from the spectroscopic S2 electronic state, followed by S1->T2 intersystem crossing and T2->T1 internal conversion processes. Minor decay channels occurring exclusively along the singlet manifold, i.e. S2->S0 (33%) and S1->S0 (18%), were also observed to play a role in the relaxation of photoexcited thiourea in the gas phase. The explicit incorporation of water-thiourea interactions in our simulations was found to provoke a very significant delay in the decay to the ground state of the system, with no transitions to the S0 being registered during the first 10 ps of our simulations. Intermolecular vibrational energy redistribution and explicit hydrogen bond interaction established between water molecules and the NH2 group of thiourea were found to structurally or energetically hamper the access to the intersystem crossing or internal conversion funnels with the ground state

Multicell MIMO Communications Relying on Intelligent Reflecting Surfaces

Intelligent reflecting surfaces (IRSs) constitute a disruptive wireless communication technique capable of creating a controllable propagation environment. In this paper, we propose to invoke an IRS at the cell boundary of multiple cells to assist the downlink transmission to cell-edge users, whilst mitigating the inter-cell interference, which is a crucial issue in multicell communication systems. We aim for maximizing the weighted sum rate (WSR) of all users through jointly optimizing the active precoding matrices at the base stations (BSs) and the phase shifts at the IRS subject to each BS’s power constraint and unit modulus constraint. Both the BSs and the users are equipped with multiple antennas, which enhances the spectral efficiency by exploiting the spatial multiplexing gain. Due to the nonconvexity of the problem, we first reformulate it into an equivalent one, which is solved by using the block coordinate descent (BCD) algorithm, where the precoding matrices and phase shifts are alternately optimized. The optimal precoding matrices can be obtained in closed form, when fixing the phase shifts. A pair of efficient algorithms are proposed for solving the phase shift optimization problem, namely the Majorization-Minimization (MM) Algorithm and the Complex Circle Manifold (CCM) Method. Both algorithms are guaranteed to converge to at least locally optimal solutions. We also extend the proposed algorithms to the more general multiple-IRS and network MIMO scenarios. Finally, our simulation results confirm the advantages of introducing IRSs in enhancing the cell-edge user performance

The therapeutic collaboration in life design counselling: the case of Ryan

This study examined the therapeutic collaboration in a case of Life Design Counseling (LDC) with narrative change and positive career outcomes. The therapeutic collaboration-change model and correspondent coding system were used to intensively study the helping relationship throughout three sessions of LDC. The collaboration coding system enables the assessment of each therapeutic exchange within and outside of the client’s therapeutic zone of proximal development, defined as the space between the client’s actual therapeutic developmental level and his/her potential developmental level fomented by a collaborative relationship. Results show that in all sessions, counsellor and client worked mainly within the therapeutic proximal development zone, that is, they were able to interact collaboratively. The coding of the counsellor’s interventions throughout the counselling process was in accordance with the life-design framework. The collaborationchange model and coding system contributed to understand the process of change in LDC.info:eu-repo/semantics/publishedVersio

UI Testing, Mutation Operators, And the DOM in Sensor-Based Applications

In the era of widespread dependence on web applications, ensuring their stability is paramount for seamless digital experiences. While UI testing is acknowledged as crucial for delivering user satisfaction, the prevalent approach of manually creating web application UI test suites using Selenium-compatible technologies lacks a systematic method for evaluating their bug-finding capabilities. This study introduces a groundbreaking Test Case Coverage Model with Priority Constraints (TCCM-PTWA) to address the challenges of mutation testing in online applications. Diverging from conventional mutation testing that primarily targets source code, our approach operates within the Document Object Model (DOM) of web browsers. This innovative technique eliminates the need for source code alterations, ensuring compatibility across a diverse array of online applications. The incorporation of priority constraints in TCCM-PTWA enhances the testing procedure by ranking test cases based on their significance, optimizing resource allocation, and minimizing testing overhead. Additionally, we present a set of mutation operators tailored specifically for web applications, drawing inspiration from common web application flaws. These operators are designed to replicate real-world issues, thereby increasing the effectiveness of mutation testing in practical scenarios. Through an empirical review encompassing various sensor based applications, we demonstrate the efficacy of TCCM-PTWA in evaluating test suites and identifying faults, with priority constraints contributing to the overall reliability and resilience of online services. This study introduces a pioneering Test Case Coverage Model with Priority Constraints, focusing on UI testing, MAEWU (Mutation Analysis for Web Applications with Emphasis on UI), and the DOM. The methodology presented herein addresses the unique challenges posed by online applications, offering a comprehensive solution that improves the reliability and resilience of web applications in the digital age

Circular Economy Business Models in the Micro, Small, and Medium Enterprises: A Review

MSME business should be built based on circular economy (CE)-based business models. The purpose of this article is to presenta review of several articles that have been published in Scopusdiscussing the CE-based business model and MSMEs to findresearch gaps and future research agendas. It used some tools of thetheoretical assay, such as bibliometric analysis, systematic literaturereview, theory, context, and characteristic methodology (TCCM).The paper outlines all findings of analyzed literature about CE’sbusiness model applied by MSME in the Scopus document untilJune 2021. The findings of this study provided more high-qualityevidence about research and practical gaps regarding the CE-basedbusiness model and MSME, which needs more research focuseson market desirability in the future and more understanding ofinternal processes in MSME’s case studies. The implication of thisarticle is to provide a future research agenda based on a collectionof research gaps as a basis for empirical research.JEL Classification: L26, M10, Q5