Search results for "Function"
showing 10 items of 14432 documents
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
2012
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoemission including multiphoton effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near-infrared…
A theoretical investigation on the Cd doping of Cu-depleted CuInSe<inf>2</inf> materials
2011
Because of their outstanding characteristics and affordable price, polycrystalline thin film solar cells based on CuIn 1−x Ga x Se 2 (CIGS) absorber layer have emerged to be one of the most promising materials for photovoltaic applications [1–2]. To further enhance the efficiency of these solar cells much effort is spent on the in-depth investigation of the production methods. However, the effect of structural defects and dopants upon the macroscopic properties and morphology of epitaxially grown CIGS films is not yet fully understood [3]. More importantly, it is well established that the best cells can be prepared by growing the CIGS absorber layer under Cu-poor conditions [4]. Thus, it is…
Ab initio simulations on Frenkel pairs of radiation defects in corundum
2015
Large scale first principles periodic calculations based on the density functional theory within the localized atomic orbital approach (DFT-LCAO) using the hybrid exchange- correlation potential B3PW have been performed in order to study the structural and electronic properties of radiation-induced Frenkel pairs Oi+VO in corundum crystal. As an initial approach, we have used conventional 2x2x1 supercell for defective α-Al2O3 lattice containing 120 atoms. After relaxation of the ideal supercell structure, the optimized doi-vo distance has been found to be ~4.5 A while the formation energy of Frenkel pair has achieved 11.7 eV. The interstitial Oi atom, both single and a component of Oi+VO pai…
Unconventional phases of attractive Fermi gases in synthetic Hall ribbons
2017
An innovative way to produce quantum Hall ribbons in a cold atomic system is to use M hyperfine states of atoms in a one-dimensional optical lattice to mimic an additional "synthetic dimension." A notable aspect here is that the SU(M) symmetric interaction between atoms manifests as "infinite ranged" along the synthetic dimension. We study the many-body physics of fermions with SU(M) symmetric attractive interactions in this system using a combination of analytical field theoretic and numerical density-matrix renormalization-group methods. We uncover the rich ground-state phase diagram of the system, including unconventional phases such as squished baryon fluids, shedding light on many-body…
Robust H-Infinity Filter Design for Uncertain Linear Systems Over Network with Network-Induced Delays and Output Quantization
2009
This paper investigates a convex optimization approach to the problem of robust H-Infinity filtering for uncertain linear systems connected over a common digital communication network. We consider the case where quantizers are static and the parameter uncertainties are norm bounded. Firstly, we propose a new model to investigate the effect of both the output quantization levels and the network conditions. Secondly, by introducing a descriptor technique, using Lyapunov-Krasovskii functional and a suitable change of variables, new required sufficient conditions are established in terms of delay-dependent linear matrix inequalities (LMIs) for the existence of the desired network-based quantize…
An NDC approach to helping pensioners cope with the cost of long-term care
2018
The aim of this paper is to analyse whether it would be possible to provide retirement and long-term care benefits using the same unfunded notional defined contribution scheme. We extend the multi-state overlapping generations model developed by Pla-Porcel et al. (2016) to include two new features: a long-term care benefit graded according to the annuitant's degree of disability and a minimum pension benefit for both contingencies. This brings the model closer to the reality of social insurance and enhances its political attractiveness. The paper contains a numerical example to show how the model functions and focuses especially on the mortality rates for dependent persons, the inception ra…
Simulation Assessment of Cognitive Readiness
2013
Simulation-based scenarios are used in different approaches for research on complex problem-solving processes. The micro-world approach in this respect has become well known. Despite its attractiveness, there still are concerns about the validity that can be achieved in measuring cognitive functions by means of this method. The chapter refers to an alternative. Quasi-experimental simulations are applied to indicate the individual’s underlying capacity to function in complex, dynamic scenarios. Typically participants get deeply involved in the defined task, resulting in high motivation. The participants’ responses, within the ongoing events, mirror their performance in real-world tasks which…
Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations
2015
Abstract The molecular and dissociative adsorption of water on a Ag-supported 1 ML, 2 ML and 3 ML-a six atomic layer-thick MgO films with a single Au adatom is investigated using density functional theory calculations. The obtained results are compared to a bulk MgO(001) surface with an Au atom. On thin films the negatively charged Au strengthens the binding of the polar water molecule due to the attractive Au–H interaction. The adsorption energy trends of OH and H with respect to the film thickness depend on an adsorption site. In the case OH or H binds atop Au on MgO/Ag(001), the adsorption becomes more exothermic with the increasing film thickness, while the reverse trend is seen when th…
Doppler Estimation and Correction for JANUS Underwater Communications
2020
In recent years, underwater communications have seen a growing interest pushed by marine research, oceanography, marine commercial operations, offshore oil industry and defense applications. Generally, underwater communications employ audio signals which can propagate relatively far but are also significantly affected by Doppler distortions. In fact, physical properties of the water and spatial changes due to tides, currents and waves can cause channel variations or unwanted movements of the transmitter or receiver. This study shows how to compensate for the Doppler effect in transmission employing the JANUS standard, a popular modulation scheme for underwater communication. Differently for…
Altered neural responses to social fairness in bipolar disorder
2020
Highlights • Bipolar disorder is characterized by impaired processing of social fairness. • BD patients exhibit increased rejection of moderate unfairness in Ultimatum Game. • BD patients display decreased response to moderate unfairness in anterior insula. • BD patients deactivate posterior and middle insula in response to unfairness. • Trait impulsivity positively correlated with deactivations in posterior insula.