Nonlinear Response Time-Dependent Density Functional Theory Combined with the Effective Fragment Potential Method

This work presents an extension of the linear response TDDFT/EFP method to the nonlinear-response regime together with the implementation of nonlinear-response TDDFT/EFP in the quantum-chemistry computer package GAMESS. Included in the new method is the ability to calculate the two-photon absorption cross section and to incorporate solvent effects via the EFP method. The nonlinear-response TDDFT/EFP method is able to make correct qualitative predictions for both gas phase values and aqueous solvent shifts of several important nonlinear properties

Measurement of the electron electric dipole moment using GdIG

A new method for the detection of the electron edm using a solid is described. The method involves the measurement of a voltage induced across the solid by the alignment of the samples magnetic dipoles in an applied magnetic field, H. A first application of the method to GdIG has resulted in a limit on the electron edm of 5E-24 e-cm, which is a factor of 40 below the limit obtained from the only previous solid-state edm experiment. The result is limited by the imperfect discrimination of an unexpectedly large voltage that is even upon the reversal of the sample magnetization.Comment: 10 pages, 5 figures, v2:references corrected, submitted to PRL, v3:added labels to figure

Fine structure of excitons in Cu2_2O

Three experimental observations on 1s-excitons in Cu$_2$O are not consistent with the picture of the exciton as a simple hydrogenic bound state: the energies of the 1s-excitons deviate from the Rydberg formula, the total exciton mass exceeds the sum of the electron and hole effective masses, and the triplet-state excitons lie above the singlet. Incorporating the band structure of the material, we calculate the corrections to this simple picture arising from the fact that the exciton Bohr radius is comparable to the lattice constant. By means of a self-consistent variational calculation of the total exciton mass as well as the ground-state energy of the singlet and the triplet-state excitons, we find excellent agreement with experiment.Comment: Revised abstract; 10 pages, revtex, 3 figures available from G. Kavoulakis, Physics Department, University of Illinois, Urban

Auger decay of degenerate and Bose-condensed excitons in Cu2_2O

We study the non-radiative Auger decay of excitons in Cu$_2$O, in which two excitons scatter to an excited electron and hole. The exciton decay rate for the direct and the phonon-assisted processes is calculated from first principles; incorporating the band structure of the material leads to a relatively shorter lifetime of the triplet state ortho excitons. We compare our results with the Auger decay rate extracted from data on highly degenerate triplet excitons and Bose-condensed singlet excitons in Cu$_2$O.Comment: 15 pages, revtex, figures available from G. Kavoulaki

Competitive stochastic noises in coherently driven two-level atoms and quantum interference

A system of coherently-driven two-level atoms is analyzed in presence of two independent stochastic perturbations: one due to collisions and a second one due to phase fluctuations of the driving field. The behaviour of the quantum interference induced by the collisional noise is considered in detail. The quantum-trajectory method is utilized to reveal the phase correlations between the dressed states involved in the interfering transition channels. It is shown that the quantum interference induced by the collisional noise is remarkably robust against phase noise. This effect is due to the fact that the phase noise, similarly to collisions, stabilizes the phase-difference between the dressed states.Comment: accepted for publication in J. Opt.

Best Practices for Reliable and Robust Spacecraft Structures

A study was undertaken to capture the best practices for the development of reliable and robust spacecraft structures for NASA s next generation cargo and crewed launch vehicles. In this study, the NASA heritage programs such as Mercury, Gemini, Apollo, and the Space Shuttle program were examined. A series of lessons learned during the NASA and DoD heritage programs are captured. The processes that "make the right structural system" are examined along with the processes to "make the structural system right". The impact of technology advancements in materials and analysis and testing methods on reliability and robustness of spacecraft structures is studied. The best practices and lessons learned are extracted from these studies. Since the first human space flight, the best practices for reliable and robust spacecraft structures appear to be well established, understood, and articulated by each generation of designers and engineers. However, these best practices apparently have not always been followed. When the best practices are ignored or short cuts are taken, risks accumulate, and reliability suffers. Thus program managers need to be vigilant of circumstances and situations that tend to violate best practices. Adherence to the best practices may help develop spacecraft systems with high reliability and robustness against certain anomalies and unforeseen events

How paradata can illuminate technical, social and professional role changes between the Poverty in the UK (1967/1968) and Poverty and Social Exclusion in the UK (2012) surveys

© 2016, The Author(s). This article brings together analyses of the micro paradata ‘by-products’ from the 1967/1968 Poverty in the United Kingdom (PinUK) and 2012 Poverty and Social Exclusion in the UK (PSE) surveys to explore changes in the conditions of production over this 45year period. We highlight technical, social and professional role continuities and changes, shaped by the institutionalisation of survey researchers, the professionalization of the field interviewer, and economisation. While there are similarities between the surveys in that field interviewers were and are at the bottom of the research hierarchy, we demonstrate an increasing segregation between the core research team and field interviewers. In PinUK the field interviewers are visible in the paper survey booklets; through their handwritten notes on codes and in written marginalia they can ‘talk’ to the central research team. In PSE they are absent from the computer mediated data, and from communication with the central team. We argue that, while there have been other benefits to field interviewers, their relational labour has become less visible in a shift from the exercise of observational judgement to an emphasis on standardisation. Yet, analyses of what field interviewers actually do show that they still need to deploy the same interpersonal skills and resourcefulness to secure and maintain interviews as they did 45years previously

Observation of a One-Dimensional Spin-Orbit Gap in a Quantum Wire

Understanding the flow of spins in magnetic layered structures has enabled an increase in data storage density in hard drives over the past decade of more than two orders of magnitude1. Following this remarkable success, the field of 'spintronics' or spin-based electronics is moving beyond effects based on local spin polarisation and is turning its attention to spin-orbit interaction (SOI) effects, which hold promise for the production, detection and manipulation of spin currents, allowing coherent transmission of information within a device. While SOI-induced spin transport effects have been observed in two- and three-dimensional samples, these have been subtle and elusive, often detected only indirectly in electrical transport or else with more sophisticated techniques. Here we present the first observation of a predicted 'spin-orbit gap' in a one-dimensional sample, where counter-propagating spins, constituting a spin current, are accompanied by a clear signal in the easily-measured linear conductance of the system.Comment: 10 pages, 5 figures, supplementary informatio

Action Without Awareness: Reaching to an Object You Do Not Remember Seeing

BACKGROUND: Previous work by our group has shown that the scaling of reach trajectories to target size is independent of obligatory awareness of that target property and that "action without awareness" can persist for up to 2000 ms of visual delay. In the present investigation we sought to determine if the ability to scale reaching trajectories to target size following a delay is related to the pre-computing of movement parameters during initial stimulus presentation or the maintenance of a sensory (i.e., visual) representation for on-demand response parameterization. METHODOLOGY/PRINCIPAL FINDINGS: Participants completed immediate or delayed (i.e., 2000 ms) perceptual reports and reaching responses to different sized targets under non-masked and masked target conditions. For the reaching task, the limb associated with a trial (i.e., left or right) was not specified until the time of response cuing: a manipulation that prevented participants from pre-computing the effector-related parameters of their response. In terms of the immediate and delayed perceptual tasks, target size was accurately reported during non-masked trials; however, for masked trials only a chance level of accuracy was observed. For the immediate and delayed reaching tasks, movement time as well as other temporal kinematic measures (e.g., times to peak acceleration, velocity and deceleration) increased in relation to decreasing target size across non-masked and masked trials. CONCLUSIONS/SIGNIFICANCE: Our results demonstrate that speed-accuracy relations were observed regardless of whether participants were aware (i.e., non-masked trials) or unaware (i.e., masked trials) of target size. Moreover, the equivalent scaling of immediate and delayed reaches during masked trials indicates that a persistent sensory-based representation supports the unconscious and metrical scaling of memory-guided reaching