pinecone/core-2020-05-10-deduplication huggingface dataset:
Orbitals from local RDMFT: Are they Kohn-Sham or Natural Orbitals?

Recently, an approximate theoretical framework was introduced, called local
reduced density matrix functional theory (local-RDMFT), where functionals of
the one-body reduced density matrix (1-RDM) are minimized under the additional
condition that the optimal orbitals satisfy a single electron Schr\"odinger
equation with a local potential. In the present work, we focus on the character
of these optimal orbitals. In particular, we compare orbitals obtained by
local-RDMFT with those obtained with the full minimization (without the extra
condition) by contrasting them against the exact NOs and orbitals from a
density functional calculation using the local density approximation (LDA). We
find that the orbitals from local-RMDFT are very close to LDA orbitals,
contrary to those of the full minimization that resemble the exact NOs. Since
local RDMFT preserves the good quality of the description of strong static
correlation, this finding opens the way to a mixed density/density matrix
scheme, where Kohn-Sham orbitals obtain fractional occupations from a
minimization of the occupation numbers using 1-RDM functionals. This will allow
for a description of strong correlation at a cost only minimally higher than a
density functional calculation
Time domain analysis of superradiant instability for the charged stringy
  black hole-mirror system

It has been proved that the charged stringy black holes are stable under the
perturbations of massive charged scalar fields. However, superradiant
instability can be generated by adding the mirror-like boundary condition to
the composed system of charged stringy black hole and scalar field. The
unstable boxed quasinormal modes have been calculated by using both analytical
and numerical method. In this paper, we further provide a time domain analysis
by performing a long time evolution of charged scalar field configuration in
the background of the charged stringy black hole with the mirror-like boundary
condition imposed. We have used the ingoing Eddington-Finkelstein coordinates
to derive the evolution equation, and adopted Pseudo-spectral method and the
forth-order Runge-Kutta method to evolve the scalar field with the initial
Gaussian wave packet. It is shown by our numerical scheme that Fourier
transforming the evolution data coincides well with the unstable modes computed
from frequency domain analysis. The existence of the rapid growth mode makes
the charged stringy black hole a good test ground to study the nonlinear
development of superradiant instability.Comment: 7 pages, 6 figures, and 5 tables. References adde
Follow-up observations of X-ray emitting hot subdwarf star: the He-rich
  sdO BD +37{\deg} 1977

We report on the results of the first XMM-Newton satellite observation of the
luminous and helium-rich O-type subdwarf BD +37{\deg} 1977 carried out in April
2014. X-ray emission is detected with a flux of about 4*10^(-14) erg/cm2/s
(0.2-1.5 keV), corresponding to a f_X/f_bol ratio about 10^(-7); the source
spectrum is very soft, and is well fit by the sum of two plasma components at
different temperatures. Both characteristics are in agreement with what is
observed in the main-sequence early-type stars, where the observed X-ray
emission is due to turbulence and shocks in the stellar wind. A smaller but
still significant stellar wind has been observed also in BD +37{\deg} 1977;
therefore, we suggest that also in this case the detected X-ray flux has the
same origin.Comment: 6 pages. Accepted for publication by Astronomy and Astrophysic
Differentiated Effect of Advertising: Joint vs Separate Consumption

In a context of intense competition, cooperative advertising between firms is critical. Accordingly, the objective of this article is to analyse the potential differentiated effect of advertising on two basic consumption patterns: individual products (i.e. hotel, restaurant) vs. bundle (i.e. hotel+restaurant). This research adds to the extant literature in that, for the first time, this potential differentiated effect is examined through a hierarchical modelling framework that reflects the way people make their decisions: first, they decide whether to visit or not a region; second, whether to purchase an advertised product in that region; and third, whether to buy products together or separately at the region. The empirical analysis, applied to a sample of 11,288 individuals, shows that the influence of advertising is positive for the decisions to visit and to purchase; however, when it comes to the joint or separate consumption, advertising has a differentiated effect: its impact is much greater on the joint alternative (“hotel+restaurant”) than the separate options (“hotel” and “restaurant”). Also, the variable distance moderates the advertising effect
New aspects and strategies for methane mitigation from ruminants

Kumar, S., Choudhury, P. K., Dolores Carro, M., Griffith, G. W., Dagar, S. S., Puniya, M., Calabro, S., Ravella, S. R., Dhewa, T., Upadhyay, R. C., Sirohi, S. K., Kundu, S. S., Wanapat, M. Puniya, A. K. (2014). New aspects and strategies for methane mitigation from ruminants. Applied Microbiology and Biotechnology, 98 (1), 31-44The growing demand for sustainable animal production is compelling researchers to explore the potential approaches to reduce emissions of greenhouse gases from livestock that are mainly produced by enteric fermentation. Some potential solutions, for instance, the use of chemical inhibitors to reduce methanogenesis, are not feasible in routine use due to their toxicity to ruminants, inhibition of efficient rumen function or other transitory effects. Strategies, such as use of plant secondary metabolites and dietary manipulations have emerged to reduce the methane emission, but these still require extensive research before these can be recommended and deployed in the livestock industry sector. Furthermore, immunization vaccines for methanogens and phages are also under investigation for mitigation of enteric methanogenesis. The increasing knowledge of methanogenic diversity in rumen, DNA sequencing technologies and bioinformatics have paved the way for chemogenomic strategies by targeting methane producers. Chemogenomics will help in finding target enzymes and proteins, which will further assist in the screening of natural as well chemical inhibitors. The construction of a methanogenic gene catalogue through these approaches is an attainable objective. This will lead to understand the microbiome function, its relation with the host and feeds, and therefore, will form the basis of practically viable and eco-friendly methane mitigation approaches, while improving the ruminant productivity.authorsversionPeer reviewe
Glacial Lake Pickering: stratigraphy and chronology of a proglacial lake dammed by the North Sea Lobe of the British?Irish Ice Sheet

We report the first chronology, using four new optically stimulated luminescence dates, on the sedimentary record of Glacial Lake Pickering, dammed by the North Sea Lobe of the British?Irish Ice Sheet during the Dimlington Stadial (24?11 ka cal BP). Dates range from 17.6???1.0 to 15.8???0.9 ka for the sedimentation of the Sherburn Sands at East Heslerton, which were formed by multiple coalescing alluvial fans prograding into the falling water levels of the lake and fed by progressively larger volumes of debris from the Wolds. Fan formation ceased ?15.8 ka, at a time when permafrost was degrading and nival-fed streams were no longer capable of supplying sediment to the fans. A further age of 10.1???0.7 ka dates the reworking of coversand into the early part of the Holocene, immediately post-dating Younger Dryas periglacial structures. A 45-m lake level dates to ?17.6 ka, when the North Sea Lobe was already in retreat, having moved eastward of the Wykeham Moraine; it stood further east at the Flamborough Moraine by ?17.3 ka. The highest (70?m) lake level and the occupation of the Wykeham Moraine date to an earlier phase of the North Sea Lobe occupation of the Vale of Pickering.publishersversionPeer reviewe
Astrophysical parameters of the peculiar X-ray transient IGR J11215−5952

Context. The current generation of X-ray satellites has discovered many new X-ray sources that are difficult to classify within the well-described subclasses. The hard X-ray source IGR J11215−5952 is a peculiar transient, displaying very short X-ray outbursts every 165 days. Aims. To characterise the source, we obtained high-resolution spectra of the optical counterpart, HD 306414, at different epochs, spanning a total of three months, before and around the 2007 February outburst with the combined aims of deriving its astrophysical parameters and searching for orbital modulation. Methods. We fit model atmospheres generated with the fastwind code to the spectrum, and used the interstellar lines in the spectrum to estimate its distance. We also cross-correlated each individual spectrum to the best-fit model to derive radial velocities. Results. From its spectral features, we classify HD 306414 as B0.5 Ia. From the model fit, we find Teff ≈ 24 700  K and log g ≈ 2.7, in good agreement with the morphological classification. Using the interstellar lines in its spectrum, we estimate a distance to HD 306414 d ≳ 7 kpc. Assuming this distance, we derive R∗ ≈ 40  R⊙ and Mspect ≈ 30  M⊙ (consistent, within errors, with Mevol ≈ 38  M⊙, and in good agreement with calibrations for the spectral type). Analysis of the radial velocity curve reveals that radial velocity changes are not dominated by the orbital motion, and provide an upper limit on the semi-amplitude for the optical component Kopt ≲ 11 ± 6  km   s-1. Large variations in the depth and shape of photospheric lines suggest the presence of strong pulsations, which may be the main cause of the radial velocity changes. Very significant variations, uncorrelated with those of the photospheric lines are seen in the shape and position of the Hα emission feature around the time of the X-ray outburst, but large excursions are also observed at other times. Conclusions. HD 306414 is a normal B0.5 Ia supergiant. Its radial velocity curve is dominated by an effect that is different from binary motion, and is most likely stellar pulsations. The data available suggest that the X-ray outbursts are caused by the close passage of the neutron star in a very eccentric orbit, perhaps leading to localised mass outflow.This research is partially supported by the Spanish Ministerio de Ciencia e Innovación (MICINN) under grants AYA2010-21697-C05-04/05, AYA2012-39364-C02-01/02, and CSD2006-70 (First Science with the GTC), and by the Generalitat Valenciana under grant ACOMP/2012/134
Search for W' to tb decays in the lepton + jets final state in pp collisions at sqrt(s) = 8 TeV

Results are presented from a search for the production of a heavy gauge boson W' decaying into a top and a bottom quark, using a data set collected by the CMS experiment at sqrt(s) = 8 TeV and corresponding to an integrated luminosity of 19.5 inverse femtobarns. Various models of W'-boson production are studied by allowing for an arbitrary combination of left- and right-handed couplings. The analysis is based on the detection of events with a lepton (e, mu), jets, and missing transverse energy in the final state. No evidence for W'-boson production is found and 95% confidence level upper limits on the production cross section times branching fraction are obtained. For W' bosons with purely right-handed couplings, and for those with left-handed couplings assuming no interference effects, the observed 95% confidence level limit is M(W') > 2.05 TeV. For W' bosons with purely left-handed couplings, including interference effects, the observed 95% confidence level limit is M(W') > 1.84 TeV. The results presented in this paper are the most stringent limits published to date
Cogenesis in a universe with vanishing B–L within a gauged U(1)x extension

We consider a gauged U(1)x extension of the standard model and of the minimal supersymmetric standard model where the dark matter fields are charged under U(1)x and carry lepton number while the standard model fields and fields of the minimal supersymmetric standard model are neutral under U(1)x . We consider leptogenesis in this class of models with all fundamental interactions having no violation of lepton number, and the total B–L in the universe vanishes. Such leptogenesis leads to equal and opposite lepton numbers in the visible sector and in the dark sector, and thus also produces asymmetric dark matter. Part of the lepton number generated in the leptonic sector subsequently transfer to the baryonic sector via sphaleron interactions. The stability of the dark particles is protected by the U(1)x gauge symmetry. A kinetic mixing between the U(1)x and the U(1)Y gauge bosons allows for dissipation of the symmetric component of dark matter. The case when U(1)x is U(1)B–L is also discussed for the supersymmetric case. This case is particularly interesting in that we have a gauged U(1)B–L which ensures the conservation of B–L with an initial condition of a vanishing B–L in the universe. Phenomenological implications of the proposed extensions are discussed, which includes implications for electroweak physics, neutrino masses and mixings, and lepton flavor changing processes such as ℓi→ℓjγ . We also briefly discuss the direct detection of the dark matter in the model
Renormalization group improved pQCD prediction for Υ(1 S ) leptonic decay

The complete next-to-next-to-next-to-leading order short-distance and bound-state QCD corrections to Υ(1 S ) leptonic decay rate Γ(Υ(1 S ) → ℓ + ℓ − ) has been finished by Beneke et al. [8]. Based on those improvements, we present a renormalization group (RG) improved pQCD prediction for Γ(Υ(1 S ) → ℓ + ℓ − ) by applying the principle of maximum conformality (PMC). The PMC is based on RG-invariance and is designed to solve the pQCD renormalization scheme and scale ambiguities. After applying the PMC, all known-type of β -terms at all orders, which are controlled by the RG-equation, are resummed to determine optimal renormalization scale for its strong running coupling at each order. We then achieve a more convergent pQCD series, a scheme- independent and more accurate pQCD prediction for Υ(1 S ) leptonic decay, i.e. Γ Υ 1 S → e + e − P M C = 1.27 0 − 0.187 + 0.137 $$ \varGamma {\left.{}_{Y(1S)\to {\mathrm{e}}^{+}{\mathrm{e}}^{-}}\right|}_{\mathrm{PMC}}=1.27{0}_{-0.187}^{+0.137} $$ keV, where the uncertainty is the squared average of the mentioned pQCD errors. This RG-improved pQCD prediction agrees with the experimental measurement within errors
Contractions from osp(1|32)⊕osp(1|32) to the M-theory superalgebra extended by additional fermionic generators

We study here the generalized Weimar-Woods contractions of the superalgebra osp(1|32)⊕osp(1|32) in order to obtain a suitable algebra that could describe the gauge group of D=11 supergravity. The contracted superalgebras are assumed to be given in terms of fermionic extensions of the M-theory superalgebra. We show that the only superalgebra of this type obtained by contraction is the only one for which the three-form of D=11 supergravity cannot be trivialized. Therefore, D=11 supergravity cannot be connected in this way with a contraction of osp(1|32)⊕osp(1|32)
Health and economic outcomes of the detection of Klebsiella pneumoniae-produced extended-spectrum beta-lactamase (ESBL) in a hospital with high prevalence of this infection

Introduction: Klebsiella pneumoniae is of high prevalence in hospital infections, mainly in bloodstream infections (BSI), and some produce extended-spectrum beta-lactamase (ESBL). for hospitals with a high prevalence of strains producing this enzyme, there is no reference material to show whether the use of the E-test method for their detection, which can be quite expensive, is actually required.Objective: To evaluate the cost-benefit of the disk diffusion and E-test methods for the detection of ESBL-producing K. pneumoniae strains in hospitals where a high prevalence of this resistance mechanism in BSI is found.Methods: One hundred and eight patients with K. pneumoniae BSI were evaluated retrospectively. ESBL-producing strains were identified by the disk diffusion method and by the E-test method. We estimated the costs of both diagnostic methods based on antimicrobial therapy adequacy.Results: Fifty-two percent of K. pneumoniae infections were due to ESBL-producing strains. the disk diffusion method yielded a positive predictive value (PPV) of 94.7% (95% Cl: 88.9-100%) and a negative predictive value (NPV) of 96.1% (CI 95%: 90.8-101.4%) in relation to the E-test. We evaluated cost-effectiveness, i.e., we analyzed the cost of both E-test and disk diffusion methods with carbapenem and cephalosporins, and found that the use of the disk diffusion method accounts for approximately US$3300.Conclusions: in hospitals with a high prevalence of ESBL-producing strains, the disk diffusion method can be used to detect ESBL-producing K. pneumoniae without compromising the clinical progression of patients with BSI. the E-test showed higher accuracy but this method was more expensive than the disk diffusion method. However, the use of the E-test method was demonstrated to be more cost-effective, as we evaluated cost based on antimicrobial therapy adequacy. (C) 2005 International Society for Infectious Diseases. Published by Elsevier B.V. All rights reserved.Universidade Federal de São Paulo, Escola Paulista Med, Disciplina Doencas Infecc & Parasitarias, BR-04023062 São Paulo, BrazilUniversidade Federal de São Paulo, Escola Paulista Med, Disciplina Doencas Infecc & Parasitarias, BR-04023062 São Paulo, BrazilWeb of Scienc
The electronic Space Weather upper atmosphere (eSWua) project at INGV: advancements and state of the art

The eSWua project is based on measurements performed by all the instruments installed by the upper atmosphere physics group of the Istituto Nazionale di Geofisica e Vulcanologia, Italy and on all the related studies. The aim is the realization of a hardware-software system to standardize
historical and real-time observations for different instruments.
An interactive Web site, supported by a well organized database, can be a powerful tool for the scientific and technological
community in the field of telecommunications and space weather. The most common and useful database type for our purposes is the relational one, in which data are organized
in tables for petabytes data archiving and the complete flexibility in data retrieving.
The project started in June 2005 and will last till August 2007. In the first phase the major effort has been focused on the design of hardware and database architecture. The
first two databases related to the DPS4 digisonde and GISTM measurements are complete concerning populating, tests and output procedures. Details on the structure and Web tools concerning these two databases are presented, as well as the general description of the project and technical features
Predicting the impact of lava flows at Mount Etna (Italy)

Forecasting the time, nature and impact of future eruptions is difficult at volcanoes such as Mount Etna, in Italy, where eruptions occur from the summit and on the flanks, affecting areas distant from each other. Nonetheless, the identification and quantification of areas at risk from new eruptions is fundamental for mitigating potential human casualties and material damage. Here, we present new results from the application of a methodology to define flexible high-resolution lava invasion susceptibility maps based on a reliable computational model for simulating lava flows at Etna and on a validation procedure for assessing the correctness of susceptibility mapping in the study area. Furthermore, specific scenarios can be extracted at any time from the simulation database, for land-use and civil defence planning in the long-term, to quantify, in real-time, the impact of an imminent eruption, and to assess the efficiency of protective measures
Modeling of unrest signals in heterogeneous  hydrothermal systems

Monitoring of quiescent volcanoes, such as Campi Flegrei (Italy), involves the 
measurement of geochemical and geophysical parameters that are expected to change as 
eruptive conditions approach. Some of these changes are associated with the hydrothermal 
activity that is driven by the release of heat and magmatic fluids. This work focuses on 
the properties of the porous medium and on their effects on the signals generated by the 
circulating fluids. The TOUGH2 porous media flow model is applied to simulate a shallow 
hydrothermal system fed by a source of magmatic fluids. The simulated activity of the 
source, with periods of increased fluid discharge, generates changes in gas composition, 
gravity, and ground deformation. The same boundary conditions and source activity were 
applied to simulate the evolution of homogeneous and heterogeneous systems, 
characterized by different rock properties. Phase distribution, fluid composition, and the 
related signals depend on the nature and properties of the rock sequence through which the 
fluids propagate. Results show that the distribution of porosity and permeability affects all 
the observable parameters, controlling the timing and the amplitude of their changes 
through space and time. Preferential pathways for fluid ascent favor a faster evolution, 
with larger changes near permeable channels. Slower changes over wider areas 
characterize less permeable systems. These results imply that monitoring signals do not 
simply reflect the evolution of the magmatic system: intervening rocks leave a marked 
signature that should be taken into account when monitoring data are used to infer 
system conditions at depth
Quantifying the physical activity energy expenditure of commuters using a combination of global positioning system and combined heart rate and movement sensors.

Active commuting may help to increase adults' physical activity levels. However, estimates of its energy cost are derived from a small number of studies which are laboratory-based or use self-reported measures. Adults working in Cambridge (UK) recruited through a predominantly workplace-based strategy wore combined heart rate and movement sensors and global positioning system (GPS) devices for one week, and completed synchronous day-by-day travel diaries in 2010 and 2011. Commuting journeys were delineated using GPS data, and metabolic intensity (standard metabolic equivalents; MET) was derived and compared between journey types using mixed-effects linear regression. 182 commuting journeys were included in the analysis. Median intensity was 1.28 MET for car journeys; 1.67 MET for bus journeys; 4.61 MET for walking journeys; 6.44 MET for cycling journeys; 1.78 MET for journeys made by car in combination with walking; and 2.21 MET for journeys made by car in combination with cycling. The value for journeys made solely by car was significantly lower than those for all other journey types (p<0.04). On average, 20% of the duration of journeys incorporating any active travel (equating to 8 minutes) was spent in moderate-to-vigorous physical activity (MVPA). We have demonstrated how GPS and activity data from a free-living sample can be used simultaneously to provide objective estimates of commuting energy expenditure. On average, incorporating walking or cycling into longer journeys provided over half the weekly recommended activity levels from the commute alone. This may be an efficient way of achieving physical activity guidelines and improving population health