4,905 research outputs found

    Joint density-functional theory for electronic structure of solvated systems

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    We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. A simple approximate functional predicts, without any fitting of parameters to solvation data, solvation energies as well as state-of-the-art quantum-chemical cavity approaches, which require such fitting.Comment: Fixed typos and minor updates to tex

    Characterizing time-irreversibility in disordered fermionic systems by the effect of local perturbations

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    We study the effects of local perturbations on the dynamics of disordered fermionic systems in order to characterize time-irreversibility. We focus on three different systems, the non-interacting Anderson and Aubry-Andr\'e-Harper (AAH-) models, and the interacting spinless disordered t-V chain. First, we consider the effect on the full many-body wave-functions by measuring the Loschmidt echo (LE). We show that in the extended/ergodic phase the LE decays exponentially fast with time, while in the localized phase the decay is algebraic. We demonstrate that the exponent of the decay of the LE in the localized phase diverges proportionally to the single-particle localization length as we approach the metal-insulator transition in the AAH model. Second, we probe different phases of disordered systems by studying the time expectation value of local observables evolved with two Hamiltonians that differ by a spatially local perturbation. Remarkably, we find that many-body localized systems could lose memory of the initial state in the long-time limit, in contrast to the non-interacting localized phase where some memory is always preserved

    Millimeter and sub-millimeter atmospheric performance at Dome C combining radiosoundings and ATM synthetic spectra

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    The reliability of astronomical observations at millimeter and sub-millimeter wavelengths closely depends on a low vertical content of water vapor as well as on high atmospheric emission stability. Although Concordia station at Dome C (Antarctica) enjoys good observing conditions in this atmospheric spectral windows, as shown by preliminary site-testing campaigns at different bands and in, not always, time overlapped periods, a dedicated instrument able to continuously determine atmospheric performance for a wide spectral range is not yet planned. In the absence of such measurements, in this paper we suggest a semi-empirical approach to perform an analysis of atmospheric transmission and emission at Dome C to compare the performance for 7 photometric bands ranging from 100 GHz to 2 THz. Radiosoundings data provided by the Routine Meteorological Observations (RMO) Research Project at Concordia station are corrected by temperature and humidity errors and dry biases and then employed to feed ATM (Atmospheric Transmission at Microwaves) code to generate synthetic spectra in the wide spectral range from 100 GHz to 2 THz. To quantify the atmospheric contribution in millimeter and sub-millimeter observations we are considering several photometric bands in which atmospheric quantities are integrated. The observational capabilities of this site at all the selected spectral bands are analyzed considering monthly averaged transmissions joined to the corresponding fluctuations. Transmission and pwv statistics at Dome C derived by our semi-empirical approach are consistent with previous works. It is evident the decreasing of the performance at high frequencies. We propose to introduce a new parameter to compare the quality of a site at different spectral bands, in terms of high transmission and emission stability, the Site Photometric Quality Factor.Comment: accepted to MNRAS with minor revision

    Decreased dopamine activity predicts relapse in methamphetamine abusers.

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    Studies in methamphetamine (METH) abusers showed that the decreases in brain dopamine (DA) function might recover with protracted detoxification. However, the extent to which striatal DA function in METH predicts recovery has not been evaluated. Here we assessed whether striatal DA activity in METH abusers is associated with clinical outcomes. Brain DA D2 receptor (D2R) availability was measured with positron emission tomography and [(11)C]raclopride in 16 METH abusers, both after placebo and after challenge with 60 mg oral methylphenidate (MPH) (to measure DA release) to assess whether it predicted clinical outcomes. For this purpose, METH abusers were tested within 6 months of last METH use and then followed up for 9 months of abstinence. In parallel, 15 healthy controls were tested. METH abusers had lower D2R availability in caudate than in controls. Both METH abusers and controls showed decreased striatal D2R availability after MPH and these decreases were smaller in METH than in controls in left putamen. The six METH abusers who relapsed during the follow-up period had lower D2R availability in dorsal striatum than in controls, and had no D2R changes after MPH challenge. The 10 METH abusers who completed detoxification did not differ from controls neither in striatal D2R availability nor in MPH-induced striatal DA changes. These results provide preliminary evidence that low striatal DA function in METH abusers is associated with a greater likelihood of relapse during treatment. Detection of the extent of DA dysfunction may be helpful in predicting therapeutic outcomes

    Subgingival Instrumentation for Treatment of Periodontitis. A Systematic Review

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    OBJECTIVES: To evaluate the efficacy of subgingival instrumentation (PICOS-1), sonic/ultrasonic/hand instruments (PICOS-2) and different subgingival instrumentation delivery protocols (PICOS-3) to treat periodontitis. METHODS: Systematic electronic search (CENTRAL/MEDLINE/EMBASE/SCOPUS/LILACS) to March 2019 was conducted to identify randomized controlled trials (RCT) reporting on subgingival instrumentation. Duplicate screening and data extraction were performed to formulate evidence tables and meta-analysis as appropriate. RESULTS: As only one RCT addressed the efficacy of subgingival instrumentation compared to supragingival cleaning alone (PICOS-1), baseline and final measures from 11 studies were considered. The weighted pocket depth (PD) reduction was 1.7 mm (95%CI: 1.3-2.1) at 6/8 months and the proportion of pocket closure was estimated at 74% (95%CI: 64-85). Six RCTs compared hand and sonic/ultrasonic instruments for subgingival instrumentation (PICOS-2). No significant differences were observed between groups by follow-up time point or category of initial PD. Thirteen RCTs evaluated quadrant-wise vs full-mouth approaches (PICOS-3). No significant differences were observed between groups irrespective of time-points or initial PD. Five studies reported patient-reported outcomes, reporting no differences between groups. CONCLUSIONS: Nonsurgical periodontal therapy by mechanical subgingival instrumentation is an efficacious means to achieve infection control in periodontitis patients irrespective of the type of instrument or mode of delivery. Prospero ID:CRD42019124887

    Search for Low Mass Exotic mesonic structures. Part II: attempts to understand the experimental results

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    Our previous paper, part I of the same study, shows the different experimental spectra used to conclude on the genuine existence of narrow, weakly excited mesonic structures, having masses below and a little above the pion (M=139.56 MeV) mass. This work \cite{previous} was instigated by the observation, in the Σ+\Sigma^{+} disintegration: Σ+→\Sigma^{+}\topP0^{0}, P0→μ−μ+^{0}\to\mu^{-}\mu^{+} \cite{park}, of a narrow range of dimuon masses. The authors conclude on the existence of a neutral intermediate state P0_{0}, with a mass M=214.3 MeV ±\pm 0.5 MeV. We present here some attempts to understand the possible nature of the structures observed in part I.Comment: 3 pages, 4 figures. Follows 0710.1796. Both replace arXiv:0707.1261 [nucl-ex
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