Ab initio linear scaling response theory: Electric polarizability by perturbed projection

A linear scaling method for calculation of the static {\em ab inito} response within self-consistent field theory is developed and applied to calculation of the static electric polarizability. The method is based on density matrix perturbation theory [Niklasson and Challacombe, cond-mat/0311591], obtaining response functions directly via a perturbative approach to spectral projection. The accuracy and efficiency of the linear scaling method is demonstrated for a series of three-dimensional water clusters at the RHF/6-31G** level of theory. Locality of the response under a global electric field perturbation is numerically demonstrated by approximate exponential decay of derivative density matrix elements.Comment: 4.25 pages in PRL format, 2 figure

Perspectives on financial incentives to health service providers for increasing breast feeding and smoking quit rates during pregnancy: a mixed methods study

Objective: To explore the acceptability, mechanisms and consequences of provider incentives for smoking cessation and breast feeding as part of the Benefits of Incentives for Breastfeeding and Smoking cessation in pregnancy (BIBS) study. Design: Cross-sectional survey and qualitative interviews. Setting: Scotland and North West England. Participants: Early years professionals: 497 survey respondents included 156 doctors; 197 health visitors/maternity staff; 144 other health staff. Qualitative interviews or focus groups were conducted with 68 pregnant/postnatal women/family members; 32 service providers; 22 experts/decision-makers; 63 conference attendees. Methods: Early years professionals were surveyed via email about the acceptability of payments to local health services for reaching smoking cessation in pregnancy and breastfeeding targets. Agreement was measured on a 5-point scale using multivariable ordered logit models. A framework approach was used to analyse free-text survey responses and qualitative data. Results: Health professional net agreement for provider incentives for smoking cessation targets was 52.9% (263/497); net disagreement was 28.6% (142/497). Health visitors/maternity staff were more likely than doctors to agree: OR 2.35 (95% CI 1.51 to 3.64; p<0.001). Net agreement for provider incentives for breastfeeding targets was 44.1% (219/497) and net disagreement was 38.6% (192/497). Agreement was more likely for women (compared with men): OR 1.81 (1.09 to 3.00; p=0.023) and health visitors/maternity staff (compared with doctors): OR 2.54 (95% CI 1.65 to 3.91; p<0.001). Key emergent themes were 'moral tensions around acceptability', 'need for incentives', 'goals', 'collective or divisive action' and 'monitoring and proof'. While provider incentives can focus action and resources, tensions around the impact on relationships raised concerns. Pressure, burden of proof, gaming, box-ticking bureaucracies and health inequalities were counterbalances to potential benefits. Conclusions: Provider incentives are favoured by non-medical staff. Solutions which increase trust and collaboration towards shared goals, without negatively impacting on relationships or increasing bureaucracy are required

Experimental Validation of Contact Dynamics for In-Hand Manipulation

This paper evaluates state-of-the-art contact models at predicting the motions and forces involved in simple in-hand robotic manipulations. In particular it focuses on three primitive actions --linear sliding, pivoting, and rolling-- that involve contacts between a gripper, a rigid object, and their environment. The evaluation is done through thousands of controlled experiments designed to capture the motion of object and gripper, and all contact forces and torques at 250Hz. We demonstrate that a contact modeling approach based on Coulomb's friction law and maximum energy principle is effective at reasoning about interaction to first order, but limited for making accurate predictions. We attribute the major limitations to 1) the non-uniqueness of force resolution inherent to grasps with multiple hard contacts of complex geometries, 2) unmodeled dynamics due to contact compliance, and 3) unmodeled geometries dueto manufacturing defects.Comment: International Symposium on Experimental Robotics, ISER 2016, Tokyo, Japa

Commutator Relations Reveal Solvable Structures in Unambiguous State Discrimination

We present a criterion, based on three commutator relations, that allows to decide whether two self-adjoint matrices with non-overlapping support are simultaneously unitarily similar to quasidiagonal matrices, i.e., whether they can be simultaneously brought into a diagonal structure with 2x2-dimensional blocks. Application of this criterion to unambiguous state discrimination provides a systematic test whether the given problem is reducible to a solvable structure. As an example, we discuss unambiguous state comparison.Comment: 5 pages, discussion of related work adde

Non-Linear N-Parameter Spacetime Perturbations: Gauge Transformations

We introduce N-parameter perturbation theory as a new tool for the study of non-linear relativistic phenomena. The main ingredient in this formulation is the use of the Baker-Campbell-Hausdorff formula. The associated machinery allows us to prove the main results concerning the consistency of the scheme to any perturbative order. Gauge transformations and conditions for gauge invariance at any required order can then be derived from a generating exponential formula via a simple Taylor expansion. We outline the relation between our novel formulation and previous developments.Comment: 7 pages, no figures, RevTeX 4.0. Revised version to match version published in PR

Dynamic correlations in doped 1D Kondo insulator: Finite-T DMRG study

The finite-T DMRG method is applied to the one-dimensional Kondo lattice model to calculate dynamic correlation functions. Dynamic spin and charge correlations, S_f(omega), S_c(omega), and N_c(omega), and quasiparticle density of states rho(omega) are calculated in the paramagnetic metallic phase for various temperatures and hole densities. Near half filling, it is shown that a pseudogap grows in these dynamic correlation functions below the crossover temperature characterized by the spin gap at half filling. A sharp peak at omega=0 evolves at low temperatures in S_f(omega) and N_c(omega). This may be an evidence of the formation of the collective excitations, and this confirms that the metallic phase is a Tomonaga-Luttinger liquid in the low temperature limit.Comment: 5 pages, 6 Postscript figures, REVTe

Specific Heat of Ce(1-x)La(x)RhIn(5) in Zero and Applied Magnetic Field: A Very Rich Phase Diagram

Specific heat and magnetization results as a function of field on single- and poly-crystalline samples of Ce(1-x)La(x)RhIn(5) show 1.) a specific heat gamma of about 100 mJ/moleK^2 (in agreement with recent dHvA results of Alvers et al.); 2.) upturns at low temperatures in C/T and chi that fit a power law behavior ( Griffiths phase non-Fermi liquid behavior); 3.) a field induced anomaly in C/T as well as M vs H behavior in good agreement with the recent Griffiths phase theory of Castro Neto and Jones, where M~H at low field, M ~ H^lambda above a crossover field, C/T ~ T^(-1+lambda) at low field, and C/T ~ (H^(2+lambda/2)/T^(3-lambda/2))*exp(-mu(eff)H/T) above the same crossover field as determined in the magnetization and where lambda is independently determined from the temperature dependence of chi at low temperatures, chi ~ T^(-1+lambda) and low fields.Comment: 13 pages, 9 figures, to be published in Physical Review

Hermes and the spin of the proton

HERMES is a second generation experiment to study the spin structure of the nucleon, in which measurements of the spin dependent properties of semi-inclusive deep-inelastic lepton scattering are emphasized. Data have been accumulated for semi-inclusive pion, kaon, and proton double-spin asymmetries, as well as for high-p_T hadron pairs, and single-spin azimuthal asymmetries for pion electroproduction and deep virtual Compton scattering. These results provide information on the flavor decomposition of the polarized quark distributions in the nucleon and a first glimpse of the gluon polarization, while the observation of the azimuthal asymmetries show promise for probing the tensor spin of the nucleon and isolating the total angular momentum carried by the quarks.Comment: LaTeX, 21 page

Algebraic Aspects of Abelian Sandpile Models

The abelian sandpile models feature a finite abelian group G generated by the operators corresponding to particle addition at various sites. We study the canonical decomposition of G as a product of cyclic groups G = Z_{d_1} X Z_{d_2} X Z_{d_3}...X Z_{d_g}, where g is the least number of generators of G, and d_i is a multiple of d_{i+1}. The structure of G is determined in terms of toppling matrix. We construct scalar functions, linear in height variables of the pile, that are invariant toppling at any site. These invariants provide convenient coordinates to label the recurrent configurations of the sandpile. For an L X L square lattice, we show that g = L. In this case, we observe that the system has nontrivial symmetries coming from the action of the cyclotomic Galois group of the (2L+2)th roots of unity which operates on the set of eigenvalues of the toppling matrix. These eigenvalues are algebraic integers, whose product is the order |G|. With the help of this Galois group, we obtain an explicit factorizaration of |G|. We also use it to define other simpler, though under-complete, sets of toppling invariants.Comment: 39 pages, TIFR/TH/94-3