1,110 research outputs found
Quantum Monte Carlo method using phase-free random walks with Slater determinants
We develop a quantum Monte Carlo method for many fermions that allows the use
of any one-particle basis. It projects out the ground state by random walks in
the space of Slater determinants. An approximate approach is formulated to
control the phase problem with a trial wave function . Using
plane-wave basis and non-local pseudopotentials, we apply the method to Si
atom, dimer, and 2, 16, 54 atom (216 electrons) bulk supercells. Single Slater
determinant wave functions from density functional theory calculations were
used as with no additional optimization. The calculated binding
energy of Si2 and cohesive energy of bulk Si are in excellent agreement with
experiments and are comparable to the best existing theoretical results.Comment: 5 pages, Latex, with 1 fi
Modeling of the electronic state of the High-Temperature Superconductor LaCuO: Phonon dynamics and charge response
A modeling of the normal state of the p-doped high-temperature
superconductors (HTSC's) is presented. This is achieved starting from a more
conventional metallic phase for optimal- and overdoping and passing via the
underdoped to the insulating state by consecutive orbital selective
compressibility-incompressibility transitions in terms of sum rules for the
charge response. The modeling is substantiated by corresponding phonon
calculations. Extending investigations of the full dispersion and in particular
of the strongly doping dependent anomalous phonon modes in LaCuO, which so far
underpin our treatment of the density response of the electrons in the p-doped
HTSC's, gives additional support for the modeling of the electronic state,
compares well with recent experimental data and predicts the dispersion for the
overdoped regime. Moreover, phonon densities of states have been calculated and
compared for the insulating, underdoped, optimally doped and overdoped state of
LaCuO. From our modeling of the normal state a consistent picture of the
superconducting phase also can be extracted qualitatively pointing in the
underdoped regime to a phase ordering transition. On the other hand, the
modeling of the optimal and overdoped state is consistent with a quasi-particle
picture with a well defined Fermi surface. Thus, in the latter case a Fermi
surface instability with an evolution of pairs of well defined quasiparticles
is possible and can lead to a BCS-type ordering. So, it is tempting to
speculate that optimal in the HTSC's marks a crossover region between
these two forms of ordering.Comment: 18 RevTex pages, 10 figures, revised version, references updated,
accepted for publication in Physical Review
Charge transfer electrostatic model of compositional order in perovskite alloys
We introduce an electrostatic model including charge transfer, which is shown
to account for the observed B-site ordering in Pb-based perovskite alloys. The
model allows charge transfer between A-sites and is a generalization of
Bellaiche and Vanderbilt's purely electrostatic model. The large covalency of
Pb^{2+} compared to Ba^{2+} is modeled by an environment dependent effective
A-site charge. Monte Carlo simulations of this model successfully reproduce the
long range compositional order of both Pb-based and Ba-based complex
A(BB^{'}B^{''})O_3 perovskite alloys. The models are also extended to study
systems with A-site and B-site doping, such as
(Na_{1/2}La_{1/2})(Mg_{1/3}Nb_{2/3})O_3,
(Ba_{1-x}La_{x})(Mg_{(1+x)/3}Nb_{(2-x)/3})O_3 and
(Pb_{1-x}La_{x})(Mg_{(1+x)/3}Ta_{(2-x)/3})O_3. General trends are reproduced by
purely electrostatic interactions, and charge transfer effects indicate that
local structural relaxations can tip the balance between different B-site
orderings in Pb based materials.Comment: 15 pages, 6 figure
Lesbian and bisexual women's experiences of sexuality-based discrimination and their appearance concerns
Lesbian and bisexual women frequently experience sexuality-based discrimination, which is often based on others' judgements about their appearance. This short article aims to explore whether there is a relationship between lesbian and bisexual women's experiences of sexuality-based discrimination and their satisfaction with the way that they look. Findings from an online survey suggest that discrimination is negatively related to appearance satisfaction for lesbian women, but not for bisexual women. It is argued that this difference exists because lesbian appearance norms are more recognisable and distinctive than bisexual women's appearance norms
Neutrino induced transitions between the ground states of the A=12 triad
Neutrino induced reactions on C, an ingredient of liquid
scintillators, have been studied in several experiments. We show that for
currently available neutrino energies, 300 MeV, calculated
exclusive cross sections CN for both muon
and electron neutrinos are essentially model independent, provided the
calculations simultaneously describe the rates of several other reactions
involving the same states or their isobar analogs. The calculations agree well
with the measured cross sections, which can be therefore used to check the
normalization of the incident neutrino spectrum and the efficiency of the
detector.Comment: 9 pages REVTEX, 2 postscript figures, text and figures available at
http://www.krl.caltech.edu/preprints/MAP.htm
Effects of a multidisciplinary weight loss intervention in overweight and obese children and adolescents: 11 years of experience
Aims To evaluate the effects of an outpatient multidisciplinary weight loss intervention in reducing body mass index (BMI) in children and adolescents suffering overweight and obesity, changes in A Body Shape Index (ABSI, waist circumference normalized to height and weight) and Hip Index (HI, normalized hip circumference) during treatment and correlation between the ABSI and HI with change in BMI z score. Methods We analyze anthropometric data from pediatric patients affected by overweight and obesity aged 2 to 18 years old who entered our multidisciplinary weight loss intervention, which included medical, psychological and nutritional sessions, from January 1st 2006 to December 31st 2016. Lifestyle modification counselling was delivered. Follow-up visits were planned every month for 3 months and subsequently every 2'4 months. BMI, ABSI, and HI were converted to z scores using age and sex specific population normals. Results 864 patients entered our intervention. 453 patients (208 males), mean age 11.2 \uc2\ub13.1 years, 392 with obesity (86%, z-BMI 2.90 \uc2\ub10.80 SD) and 61 patients with overweight (z-BMI 1.73\uc2\ub10.21 SD) attended at least 1 follow-up visit. The mean number of visits was 3.5 (\uc2\ub1 1.8 SD) in overweight subjects and 3.9 (\uc2\ub12.2 SD) in ones with obesity. At the last attended follow-up visit (at 16 \uc2\ub1 12 months SD) we observed a reduction in mean z-BMI in patients with obesity (to 2.52 \uc2\ub10.71 SD) and patients with overweight (to 1.46 \uc2\ub10.5 SD). Most patients (80.8%) reduced their BMI z scores. Mean ABSI and HI z scores showed no significant change. 78/392 patients (19.8%) recovered from obese to overweight, 5/392 (1.2%) from obese to normal weight. The recovery rate from overweight to normal weight was 13.1%. In a multivariate model, initial BMI z score and number of follow-up visits were significant predictors of weight change, while age, sex, ABSI, and HI were not significant predictors. Conclusions Patients affected by overweight and obesity involved in a multidisciplinary weight loss intervention reduced their mean BMI z score, while ABSI and HI were stable. Weight loss was not predicted by initial ABSI or HI. More visits predict more weight loss, but dropout rates are high. The great majority of patients leave the weight management program before having normalized their BMI
A new method for tracking of motor skill learning through practical application of Fitts’ law
This article is made available through the Brunel Open Access Publishing Fund.A novel upper limb motor skill measure, task productivity rate (TPR) was developed integrating speed and spatial error, delivered by a practical motor skill rehabilitation task (MSRT). This prototype task involved placement of 5 short pegs horizontally on a spatially configured rail array. The stability of TPR was tested on 18 healthy right-handed adults (10 women, 8 men, median age 29 years) in a prospective single-session quantitative within-subjects study design. Manipulations of movement rate 10% faster and slower relative to normative states did not significantly affect TPR, F(1.387, 25.009) = 2.465, p = .121. A significant linear association between completion time and error was highest during the normative state condition (Pearson's r = .455, p < .05). Findings provided evidence that improvements in TPR over time reflected motor learning with possible changes in coregulation behavior underlying practice under different conditions. These findings extend Fitts’ law theory to tracking of practical motor skill using a dexterity task, which could have potential clinical applications in rehabilitation
Insulating phases of vanadium dioxide are Mott-Hubbard insulators
We present comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M-2 and triclinic. The main result of our work is that the energy gap and the electronic structure are essentially unaltered by the first-order structural phase transition between the M-2 and triclinic phases. Moreover, the optical interband features in the M-2 and triclinic phases are remarkably similar to those observed in the well-studied monoclinic M-1 insulating phase of VO2. As the energy gap is insensitive to the different lattice structures of the three insulating phases, we rule out vanadium-vanadium pairing (the Peierls component) as the dominant contributor to the opening of the gap. Rather, the energy gap arises primarily from intra-atomic Coulomb correlations
Measurements of Charged Current Reactions of on
Charged Current reactions of on have been studied using a
decay-at-rest beam at the Los Alamos Neutron Science Center.
The cross section for the exclusive reaction
was measured to be cm. The observed
energy dependence of the cross section and angular distribution of the outgoing
electron agree well with theoretical expectations. Measurements are also
presented for inclusive transitions to excited states,
and compared with theoretical expectations. The
measured cross section, cm, is somewhat
lower than previous measurements and than a continuum random phase
approximation calculation. It is in better agreement with a recent shell model
calculation.Comment: 34 pages, 18 figures, accepted to PRC, replaced with the accepted on
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