First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra

We show that any {\em quasi-particle} or GW approximation to the self-energy does not capture excitonic features in time-resolved (TR) photoemission spectroscopy. In this work we put forward a first-principles approach and propose a feasible diagrammatic approximation to solve this problem. We also derive an alternative formula for the TR photocurrent which involves a single time-integral of the lesser Green's function. The diagrammatic approximation applies to the {\em relaxed} regime characterized by the presence of quasi-stationary excitons and vanishing polarization. The main distinctive feature of the theory is that the diagrams must be evaluated using {\em excited} Green's functions. As this is not standard the analytic derivation is presented in detail. The final result is an expression for the lesser Green's function in terms of quantities that can all be calculated {\em ab initio}. The validity of the proposed theory is illustrated in a one-dimensional model system with a direct gap. We discuss possible scenarios and highlight some universal features of the exciton peaks. Our results indicate that the exciton dispersion can be observed in TR {\em and} angle-resolved photoemission.Comment: 15 pages, 8 figure

From Bound Duties to Actual Protection: Industrial Liberalisation in the Doha Round. ENEPRI Working Paper No. 41, 2005

In the background of the Doha Round of trade negotiations, this study proposes a CGE assessment of multilateral liberalisation of market access for non-agricultural products. The scenarios considered include the so-called ‘Girard proposal’ (with alternative choices for the coefficient involved), the removal of tariff peaks and complete liberalisation. This study is the first to take into account the difference between bound and applied tariffs, while considering all the enforced preferential trade arrangements and computing tariff cuts at the detailed product level (HS-6 classification). Although the liberalisation of market access for non-agricultural products is found to be welfare-enhancing at the world level, cross-country distributive effects prove significant. A soft liberalisation would not significantly reduce applied duties in developing countries, owing to their considerable binding overhang. By contrast, a deep liberalisation would entail fierce price competition among those developing countries that are largely specialised in similar sectors and in the same product quality range

On the need for bump event correction in vibration test profiles representing road excitations in automobiles

This paper presents an approach to the synthesis of compressed vibration test profiles representing much longer time histories obtained in road testing of ground vehicles. Vibration test profiles are defined as those related directly to operational testing on specific road surfaces and which summarise the input to the vehicle in the given conditions. The method extends classical Fourier transform technique by means of bump event correction in the background Fourier signal where the bump event term implies a high-amplitude transient event of the shock type. The orthogonal wavelet decomposition was used as a specific filtering tool facilitating bump event identification. Examples of seat guide vertical acceleration have been considered. Calculated probability density functions suggest the ability of the bump correction method to improve the statistical accuracy of the final vibration test profile with respect to the original road data. Test profiles obtained by means of Fourier transform synthesis with subsequent reinsertion of bump events from separated frequency bands were more accurate than those obtained by Fourier synthesis alone. Further developments led to advanced bump reinsertion with synchronisation of events occurring in different frequency bands at the same moment of time. Test profiles generated in this way have provided better accuracy compared to the non-synchronised algorithm

Study of payload sensor contamination

Epoxy/glass test specimens representing Scout fourth and fifth stage motor casings were prepared and studied in a test program designed to determine the relative contamination contributed to payload sensors located near the motor casings. The relative contamination detected in the test program was dependent on several factors, including: (1) distance of test specimen to sensor, (2) sensor temperature, (3) geometric position of the sensor (relative to test specimen), (4)test specimen temperature, (5) chemical composition of the test specimen, (6) sensor function, and (7) additional materials (such as adhesive-backed aluminum tape) added to the test specimens. The thermal characteristics and the decomposition and outgassing products were determined. These data were used to better understand the relative contamination data from the remote sensor testing

Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate

Large-scale molecular dynamics simulations and the reactive force field ReaxFF were used to study shock-induced initiation in crystalline pentaerythritol tetranitrate (PETN). In the calculations, a PETN single crystal was impacted against a wall, driving a shockwave back through the crystal in the [100] direction. Two impact speeds (4 and 3 km/s) were used to compare strong and moderate shock behavior. The primary difference between the two shock strengths is the time required to exhibit the same qualitative behaviors with the lower impact speed lagging behind the faster impact speed. For both systems, the shock velocity exhibits an initial deceleration due to onset of endothermic reactions followed by acceleration due to the onset of exothermic reactions. At long times, the shock velocity reaches a steady value. After the initial deceleration period, peaks are observed in the profiles of the density and axial stress with the strongly shocked system having sharp peaks while the weakly shocked system developed broad peaks due to the slower shock velocity acceleration. The dominant initiation reactions in both systems lead to the formation of NO_2 with lesser quantities of NO_3 and formaldehyde also produced

Fragment size correlations in finite systems - application to nuclear multifragmentation

We present a new method for the calculation of fragment size correlations in a discrete finite system in which correlations explicitly due to the finite extent of the system are suppressed. To this end, we introduce a combinatorial model, which describes the fragmentation of a finite system as a sequence of independent random emissions of fragments. The sequence is accepted when the sum of the sizes is equal to the total size. The parameters of the model, which may be used to calculate all partition probabilities, are the intrinsic probabilities associated with the fragments. Any fragment size correlation function can be built by calculating the ratio between the partition probabilities in the data sample (resulting from an experiment or from a Monte Carlo simulation) and the 'independent emission' model partition probabilities. This technique is applied to charge correlations introduced by Moretto and collaborators. It is shown that the percolation and the nuclear statistical multifragmentaion model ({\sc smm}) are almost independent emission models whereas the nuclear spinodal decomposition model ({\sc bob}) shows strong correlations corresponding to the break-up of the hot dilute nucleus into nearly equal size fragments