Conserving Approximations in Time-Dependent Density Functional Theory

In the present work we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach to many-body perturbation theory (MBPT) as developed during the sixties and later expanded by us in the mid nineties. Due to this feature the resulting response functions obey a large number of conservation laws such as particle and momentum conservation and sum rules. The quality of the obtained results is governed by the physical processes built in through MBPT but also by the choice of variational expressions. We here present several conserving response functions of different sophistication to be used in the calculation of the optical response of solids and nano-scale systems.Comment: 11 pages, 4 figures, revised versio

On the Executability of Interactive Computation

The model of interactive Turing machines (ITMs) has been proposed to characterise which stream translations are interactively computable; the model of reactive Turing machines (RTMs) has been proposed to characterise which behaviours are reactively executable. In this article we provide a comparison of the two models. We show, on the one hand, that the behaviour exhibited by ITMs is reactively executable, and, on the other hand, that the stream translations naturally associated with RTMs are interactively computable. We conclude from these results that the theory of reactive executability subsumes the theory of interactive computability. Inspired by the existing model of ITMs with advice, which provides a model of evolving computation, we also consider RTMs with advice and we establish that a facility of advice considerably upgrades the behavioural expressiveness of RTMs: every countable transition system can be simulated by some RTM with advice up to a fine notion of behavioural equivalence.Comment: 15 pages, 0 figure

Numerical simulations on the motion of atoms travelling through a standing-wave light field

The motion of metastable helium atoms travelling through a standing light wave is investigated with a semi-classical numerical model. The results of a calculation including the velocity dependence of the dipole force are compared with those of the commonly used approach, which assumes a conservative dipole force. The comparison is made for two atom guiding regimes that can be used for the production of nanostructure arrays; a low power regime, where the atoms are focused in a standing wave by the dipole force, and a higher power regime, in which the atoms channel along the potential minima of the light field. In the low power regime the differences between the two models are negligible and both models show that, for lithography purposes, pattern widths of 150 nm can be achieved. In the high power channelling regime the conservative force model, predicting 100 nm features, is shown to break down. The model that incorporates velocity dependence, resulting in a structure size of 40 nm, remains valid, as demonstrated by a comparison with quantum Monte-Carlo wavefunction calculations.Comment: 9 pages, 4 figure

Optimising the multiplex factor of the frequency domain multiplexed readout of the TES-based microcalorimeter imaging array for the X-IFU instrument on the Athena Xray observatory

Athena is a space-based X-ray observatory intended for exploration of the hot and energetic universe. One of the science instruments on Athena will be the X-ray Integrated Field Unit (X-IFU), which is a cryogenic X-ray spectrometer, based on a large cryogenic imaging array of Transition Edge Sensors (TES) based microcalorimeters operating at a temperature of 100mK. The imaging array consists of 3800 pixels providing 2.5 eV spectral resolution, and covers a field of view with a diameter of of 5 arc minutes. Multiplexed readout of the cryogenic microcalorimeter array is essential to comply with the cooling power and complexity constraints on a space craft. Frequency domain multiplexing has been under development for the readout of TES-based detectors for this purpose, not only for the X-IFU detector arrays but also for TES-based bolometer arrays for the Safari instrument of the Japanese SPICA observatory. This paper discusses the design considerations which are applicable to optimise the multiplex factor within the boundary conditions as set by the space craft. More specifically, the interplay between the science requirements such as pixel dynamic range, pixel speed, and cross talk, and the space craft requirements such as the power dissipation budget, available bandwidth, and electromagnetic compatibility will be discussed

Rotation periods of late-type stars in the young open cluster IC 2602

We present the results of a monitoring campaign aimed at deriving rotation periods for a representative sample of stars in the young (30 Myr) open cluster IC 2602. Rotation periods were derived for 29 of 33 stars monitored. The periods derived range from 0.2d (one of the shortest known rotation periods of any single open cluster star) to about 10d (which is almost twice as long as the longest period previously known for a cluster of this age). We are able to confirm 8 previously known periods and derive 21 new ones, delineating the long period end of the distribution. Despite our sensitivity to longer periods, we do not detect any variables with periods longer than about 10d. The combination of these data with those for IC 2391, an almost identical cluster, leads to the following conclusions: 1) The fast rotators in a 30 Myr cluster are distributed across the entire 0.5 < B-V < 1.6 color range. 2) 6 stars in our sample are slow rotators, with periods longer than 6d. 3) The amplitude of variability depends on both the color and the period. The dependence on the latter might be important in understanding the selection effects in the currently available rotation period database and in planning future observations. 4) The interpretation of these data in terms of theoretical models of rotating stars suggests both that disk-interaction is the norm rather than the exception in young stars and that disk-locking times range from zero to a few Myr.Comment: 23 pages, 8 figures, accepted for publication in the Astrophysical Journa

NGC 2362: a Template for Early Stellar Evolution

We present UBVRI photometry for the young open cluster NGC 2362. From analysis of the appropriate color-color and color-magnitude diagrams we derive the fundamental parameters of the NGC 2362 cluster to be: age = 5 (+1-2) Myr, distance = 1480 pc, E(B-V)=0.10 mag. The cluster age was independently determined for both high mass (2.1 - 36Msun) and low mass (0.7 - 1.2Msun) stars with excellent agreement between the ages derived using post-main sequence and pre-main sequence evolutionary tracks for the high and low mass stars respectively. Analysis of this cluster's color-magnitude diagram reveals a well defined pre-main sequence (covering DeltaV ~ 9 magnitudes in V and extending from early A stars to near the hydrogen burning limit) which makes this cluster an ideal laboratory for pre-main sequence evolution studies.Comment: 9 pages, 3 figures, to be published in ApJ

Total energies from variational functionals of the Green function and the renormalized four-point vertex

We derive variational expressions for the grand potential or action in terms of the many-body Green function $G$ which describes the propagation of particles and the renormalized four-point vertex $\Gamma$ which describes the scattering of two particles in many-body systems. The main ingredient of the variational functionals is a term we denote as the $\Xi$-functional which plays a role analogously to the usual $\Phi$-functional studied by Baym (G.Baym, Phys.Rev. 127, 1391 (1962)) in connection with the conservation laws in many-body systems. We show that any $\Xi$-derivable theory is also $\Phi$-derivable and therefore respects the conservation laws. We further set up a computational scheme to obtain accurate total energies from our variational functionals without having to solve computationally expensive sets of self-consistent equations. The input of the functional is an approximate Green function $\tilde{G}$ and an approximate four-point vertex $\tilde{\Gamma}$ obtained at a relatively low computational cost. The variational property of the functional guarantees that the error in the total energy is only of second order in deviations of the input Green function and vertex from the self-consistent ones that make the functional stationary. The functionals that we will consider for practical applications correspond to infinite order summations of ladder and exchange diagrams and are therefore particularly suited for applications to highly correlated systems. Their practical evaluation is discussed in detail.Comment: 21 pages, 10 figures. Physical Review B (accepted

A deconvolution map-making method for experiments with circular scanning strategies

Aims. To investigate the performance of a deconvolution map-making algorithm for an experiment with a circular scanning strategy, specifically in this case for the analysis of Planck data, and to quantify the effects of making maps using simplified approximations to the true beams. Methods. We present an implementation of a map-making algorithm which allows the combined treatment of temperature and polarisation data, and removal of instrumental effects, such as detector time constants and finite sampling intervals, as well as the deconvolution of arbitrarily complex beams from the maps. This method may be applied to any experiment with a circular scanning-strategy. Results. Low-resolution experiments were used to demonstrate the ability of this method to remove the effects of arbitrary beams from the maps and to demonstrate the effects on the maps of ignoring beam asymmetries. Additionally, results are presented of an analysis of a realistic full-scale simulated data-set for the Planck LFI 30 GHz channel. Conclusions. Our method successfully removes the effects of the beams from the maps, and although it is computationally expensive, the analysis of the Planck LFI data should be feasible with this approach.Comment: 14 pages, 14 figures, accepte

Initialization by measurement of a two-qubit superconducting circuit

We demonstrate initialization by joint measurement of two transmon qubits in 3D circuit quantum electrodynamics. Homodyne detection of cavity transmission is enhanced by Josephson parametric amplification to discriminate the two-qubit ground state from single-qubit excitations non-destructively and with 98.1% fidelity. Measurement and postselection of a steady-state mixture with 4.7% residual excitation per qubit achieve 98.8% fidelity to the ground state, thus outperforming passive initialization.Comment: 5 pages, 4 figures, and Supplementary Information (7 figures, 1 table

On the Kirzhnits gradient expansion in two dimensions

We derive the semiclassical Kirzhnits expansion of the D-dimensional one-particle density matrix up to the second order in $\hbar$. We focus on the two-dimensional (2D) case and show that all the gradient corrections both to the 2D one-particle density and to the kinetic energy density vanish. However, the 2D Kirzhnits expansion satisfies the consistency criterion of Gross and Proetto [J. Chem. Theory Comput. 5, 844 (2009)] for the functional derivatives of the density and the noninteracting kinetic energy with respect to the Kohn-Sham potential. Finally we show that the gradient correction to the exchange energy diverges in agreement with the previous linear-response study