Efficient implementation of the Gutzwiller variational method

We present a self-consistent numerical approach to solve the Gutzwiller variational problem for general multi-band models with arbitrary on-site interaction. The proposed method generalizes and improves the procedure derived by Deng et al., Phys. Rev. B. 79 075114 (2009), overcoming the restriction to density-density interaction without increasing the complexity of the computational algorithm. Our approach drastically reduces the problem of the high-dimensional Gutzwiller minimization by mapping it to a minimization only in the variational density matrix, in the spirit of the Levy and Lieb formulation of DFT. For fixed density the Gutzwiller renormalization matrix is determined as a fixpoint of a proper functional, whose evaluation only requires ground-state calculations of matrices defined in the Gutzwiller variational space. Furthermore, the proposed method is able to account for the symmetries of the variational function in a controlled way, reducing the number of variational parameters. After a detailed description of the method we present calculations for multi-band Hubbard models with full (rotationally invariant) Hund's rule on-site interaction. Our analysis shows that the numerical algorithm is very efficient, stable and easy to implement. For these reasons this method is particularly suitable for first principle studies -- e.g., in combination with DFT -- of many complex real materials, where the full intra-atomic interaction is important to obtain correct results.Comment: 19 pages, 7 figure

Answering Complex Questions as We Make Headway on Annual Grasses and Fire

Annual grasses challenge our ability to meet forage production and plant community conservation objectives. Direct competition, potential mutualism, and shortened fire return interval interplay resulting in complexity of how to meet challenges we face. Bromus tectorum presents challenges to sagebrush dominated plant communities with shortened fire return intervals and the advancing invasion of Ventenata dubia poses threats to forage production through competitive interactions that may involve mutualism to enhance V. dubia’s invasion of annual and perennial grass dominated plant communities. Use of fuel breaks can reduce the extent of fires and their proper function hinges on their reduced plant biomass in contrast to surrounding vegetation to improve fire fighting ability. Reducing annual grass biomass within fuel breaks reduces fuel continuity and shortens the duration of dry vegetation. Indaziflam and imazapic are two herbicide active ingredients that allow control of annual grasses within fuel breaks and sagebrush plant communities. Aerial application of these herbicides allows us to match control actions to the scope of the problem. These herbicides can also reduce competition from annual grasses, allowing increased cover and diversity of native plant communities. Removal or reduction of annual grasses has improved plant species diversity and forage production

Double precision trajectory program /DPTRAJ 2.2C/

Four part program computes trajectory of space probe moving in solar system and subject to variety of forces

The Dynamical Mean Field Theory phase space extension and critical properties of the finite temperature Mott transition

We consider the finite temperature metal-insulator transition in the half filled paramagnetic Hubbard model on the infinite dimensional Bethe lattice. A new method for calculating the Dynamical Mean Field Theory fixpoint surface in the phase diagram is presented and shown to be free from the convergence problems of standard forward recursion. The fixpoint equation is then analyzed using dynamical systems methods. On the fixpoint surface the eigenspectra of its Jacobian is used to characterize the hysteresis boundaries of the first order transition line and its second order critical end point. The critical point is shown to be a cusp catastrophe in the parameter space, opening a pitchfork bifurcation along the first order transition line, while the hysteresis boundaries are shown to be saddle-node bifurcations of two merging fixpoints. Using Landau theory the properties of the critical end point is determined and related to the critical eigenmode of the Jacobian. Our findings provide new insights into basic properties of this intensively studied transition.Comment: 11 pages, 12 figures, 1 tabl

Methods for estimating long-distance dispersal

Long-distance dispersal (LDD) includes events in which propagules arrive, but do not necessarily establish, at a site far removed from their origin. Although important in a variety of ecological contexts, the system-specific nature of LDD makes far removed difficult to quantify, partly, but not exclusively, because of inherent uncertainty typically involved with the highly stochastic LDD processes. We critically review the main methods employed in studies of dispersal, in order to facilitate the evaluation of their pertinence to specific aspects of LDD research. Using a novel classification framework, we identify six main methodological groups: biogeographical; Eulerian and Lagrangian movement/redistributional; short-term and long-term genetic analyses; and modeling. We briefly discuss the strengths and weaknesses of the most promising methods available for estimation of LDD, illustrating them with examples from current studies. The rarity of LDD events will continue to make collecting, analyzing, and interpreting the necessary data difficult, and a simple and comprehensive definition of LDD will remain elusive. However, considerable advances have been made in some methodological areas, such as miniaturization of tracking devices, elaboration of stable isotope and genetic analyses, and refinement of mechanistic models. Combinations of methods are increasingly used to provide improved insight on LDD from multiple angles. However, human activities substantially increase the variety of long-distance transport avenues, making the estimation of LDD even more challenging

Substance Misuse Education for Physicians: Why Older People are Important.

This perspective article focuses on the need for training and education for undergraduate medical students on substance-related disorders, and describes initiatives undertaken in the United Kingdom (UK), Netherlands, United States (US), and Norway to develop the skills, knowledge, and attitudes needed by future doctors to treat patients adequately. In addition, we stress that in postgraduate training, further steps should be taken to develop Addiction Medicine as a specialized and transverse medical domain. Alcohol use disorder is a growing public health problem in the geriatric population, and one that is likely to continue to increase as the baby boomer generation ages. Prescription drug misuse is a major concern, and nicotine misuse remains problematic in a substantial minority. Thus, Addiction Medicine training should address the problems for this specific population. In recent years, several countries have started an Addiction Medicine specialty. Although addiction psychiatry has been a subspecialty in the UK and US for more than 20 years, in most countries it has been a more recent development. Additional courses on addiction should be integrated into the curriculum at both undergraduate and postgraduate levels, as well as form part of the continuous training of other medical specialists. It is recommended that further research and mapping of what is currently taught in medical programs be undertaken, so as to enhance medical education in addiction and improve treatment services

Spatial distributions and seasonality of four Calanus species in the Northeast Atlantic

This paper analyses spatial and seasonal patterns for near-surface abundances of four Calanus species in the Northeast Atlantic based on monthly Continuous Plankton Recorder (CPR) Survey data collected during 2008–2016. C. finmarchicus, C. helgolandicus, C. hyperboreus and C. glacialis represent different ecosystems, and water masses with differing oceanographic properties and origins. Hence, these are considered as indicator species in climate change studies. A southern transect between Norway and the United Kingdom represented the northern North Sea, a central transect crossed the Norwegian and Iceland Seas, while a northern transect between Norway and Svalbard crossed the entrance to the Barents Sea. C. finmarchicus was prevalent everywhere, while C. helgolandicus was mainly confined to the northern North Sea though also documented downstream in the Norwegian Sea as far north as the entrance to the Barents Sea. The ratio of C. helgolandicus to C. finmarchicus abundances is expected to increase in the northern North Sea and southern Norwegian Sea given continued increases in seawater temperature. C. hyperboreus and C. glacialis were mainly associated with regions influenced by Arctic waters in the Iceland and Norwegian Seas, and south of Svalbard, respectively. Within Atlantic water masses in the central Norwegian Sea, a distinct second generation of C. finmarchicus with surprisingly high late-autumn concentrations of older stages were found. In Coastal water, two or more generations of C. finmarchicus occurred, while only one generation was evident in Arctic waters. Young C. finmarchicus of the first annual generation showed an earlier timing in Coastal than Atlantic and Arctic waters. The upper range of the temperature niche for both C. hyperboreus and C. glacialis was found to be around 7 °C. However, the peak occurrence within the study area was in 1–2 °C in Arctic water in the Iceland Sea in April for C. hyperboreus, while around 5 °C in Barents Sea Arctic water in July for C. glacialis. C. finmarchicus was present in all water masses with a peak occurrence in June at around 6 °C. C. finmarchicus generally dominated the Calanus-biomass, but C. hyperboreus in Arctic water in the Iceland and Norwegian Seas in spring, and C. helgolandicus in the northern North Sea, could match or exceed the biomass of C. finmarchicus.publishedVersio

Embedded Fiber Optic Probes to Measure Detonation Velocities Using the Photonic Doppler Velocimeter

Detonation velocities for high explosives can be in the 7 to 8 km/s range. Previous work has shown that these velocities may be measured by inserting an optical fiber probe into the explosive assembly and recording the velocity time history using a Fabry-Perot velocimeter. The measured velocity using this method, however, is the actual velocity multiplied times the refractive index of the fiber core, which is on the order of 1.5. This means that the velocimeter diagnostic must be capable of measuring velocities as high as 12 km/s. Until recently, a velocity of 12 km/s was beyond the maximum velocity limit of a homodyne-based velocimeter. The limiting component in a homodyne system is usually the digitizer. Recently, however, digitizers have come on the market with 20 GHz bandwidth and 50 GS/s sample rate. Such a digitizer coupled with high bandwidth detectors now have the total bandwidth required to make velocity measurements in the 12 km/s range. This paper describes measurements made of detonation velocities using a high bandwidth homodyne system

DON content in oat grains in Norway related to weather conditions at different growth stages

High concentrations of the mycotoxin deoxynivalenol (DON), produced by Fusarium graminearum have occurred frequently in Norwegian oats recently. Early prediction of DON levels is important for farmers, authorities and the Cereal Industry. In this study, the main weather factors influencing myco-toxin accumulation were identified and two models to predict the risk of DON in oat grains in Norway were developed: (1) as a warning system for farmers to decide if and when to treat with fungicide, and (2) for authorities and industry to use at harvest to identify potential food safety problems. Oat grain samples from farmers’ fields were collected together with weather data (2004–2013) A mathematical model was developed and used to esti- mate phenology windows of growth stages in oats (til- lering, flowering etc.). Weather summarisations were then calculated within these windows, and the Spearman rank correlation factor calculated between DON- contamination in oats at harvest and the weather summarisations for each phenological window. DON contamination was most clearly associated with the weather conditions around flowering and close to har- vest. Warm, rainy and humid weather during and around flowering increased the risk of DON accumulation in oats, as did dry periods during germination/seedling growth and tillering. Prior to harvest, warm and humid weather conditions followed by cool and dry conditions were associated with a decreased risk of DON accumu- lation. A prediction model, including only pre-flowering weather conditions, adequately forecasted risk of DON contamination in oat, and can aid in decisions about fungicide treatments

Interpretative and predictive modelling of Joint European Torus collisionality scans

Transport modelling of Joint European Torus (JET) dimensionless collisionality scaling experiments in various operational scenarios is presented. Interpretative simulations at a fixed radial position are combined with predictive JETTO simulations of temperatures and densities, using the TGLF transport model. The model includes electromagnetic effects and collisions as well as (E)over-right-arrow x (b)over-right-arrow shear in Miller geometry. Focus is on particle transport and the role of the neutral beam injection (NBI) particle source for the density peaking. The experimental 3-point collisionality scans include L-mode, and H-mode (D and H and higher beta D plasma) plasmas in a total of 12 discharges. Experimental results presented in (Tala et al 2017 44th EPS Conf.) indicate that for the H-mode scans, the NBI particle source plays an important role for the density peaking, whereas for the L-mode scan, the influence of the particle source is small. In general, both the interpretative and predictive transport simulations support the experimental conclusions on the role of the NBI particle source for the 12 JET discharges.Peer reviewe