Gutzwiller density functional theory for correlated electron systems

We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for all one particle operators. The solution of the many electron problem is mapped onto the self-consistent solution of a set of single particle Schroedinger equations analogous to standard DFT-LDA calculations.Comment: 4 page

On the Green function of linear evolution equations for a region with a boundary

We derive a closed-form expression for the Green function of linear evolution equations with the Dirichlet boundary condition for an arbitrary region, based on the singular perturbation approach to boundary problems.Comment: 9 page

Concave Plasmonic Particles: Broad-Band Geometrical Tunability in the Near Infra-Red

Optical resonances spanning the Near and Short Infra-Red spectral regime were exhibited experimentally by arrays of plasmonic nano-particles with concave cross-section. The concavity of the particle was shown to be the key ingredient for enabling the broad band tunability of the resonance frequency, even for particles with dimensional aspect ratios of order unity. The atypical flexibility of setting the resonance wavelength is shown to stem from a unique interplay of local geometry with surface charge distributions

Norm estimates of complex symmetric operators applied to quantum systems

This paper communicates recent results in theory of complex symmetric operators and shows, through two non-trivial examples, their potential usefulness in the study of Schr\"odinger operators. In particular, we propose a formula for computing the norm of a compact complex symmetric operator. This observation is applied to two concrete problems related to quantum mechanical systems. First, we give sharp estimates on the exponential decay of the resolvent and the single-particle density matrix for Schr\"odinger operators with spectral gaps. Second, we provide new ways of evaluating the resolvent norm for Schr\"odinger operators appearing in the complex scaling theory of resonances

"Stopping before you start" : reducing and preventing initiation of tobacco use in the ACT

Tobacco is the leading cause of preventable death in Australia and contributes to 5.4% of disease burden in the Australian Capital Territory. Initiation of tobacco use is most likely to occur during adolescence and young adulthood (at less than 20 years). Prevention of tobacco initiation involves a combination of regulatory, educational and health promotion interventions including restrictions on the sale of tobacco products. This paper reports on the development and use of an agent-based model to explore the impact of modifying three hypothetical regulatory and health promotion interventions: 1) increasing the minimum purchasing age for tobacco products, 2) reducing retail sales of tobacco products to persons under the minimum purchasing age and 3) reducing secondary sharing of tobacco products to persons under the minimum purchasing age using health promotion messaging. The model was built using a participatory approach that engaged policy officers, health promotion officers, epidemiologists, biostatisticians and computer scientists. The structure of the model included interacting state chart representations of smoking and level of concern about tobacco use (engagement status) and a pro-smoking score, which defined the hazard rate of initiation, cessation, and relapse. The pro-smoking score was a function of several risk factors including engagement, social effect of having more or fewer smoking peers, addiction and withdrawal levels and access to tobacco products. Parameterisation of the model drew on a range of data sources with local data being prioritised where it was available. A series of scenarios comparing the impact of the interventions on smoking prevalence rates and age of initiation are reported. Of the three interventions simulated, increasing the minimum purchasing age from 18 to 21 years had the greatest impact on smoking prevalence across the population, reducing the prevalence of smoking from 8.5% (95% CI 7.8, 9.2) to 6.9% (95% CI 6.4, 7.4) five years post-intervention and 4.1% (95% CI 3.8, 4.3) 20 years post intervention (Figure 1). The interventions aimed to reduce the sale of tobacco products to minors and reduce secondary sharing produced small reductions on their own. However, when implemented in combination with increasing the minimum purchasing age, they significantly increased the impact of this intervention from ten years post-implementation, ultimately resulting in a prevalence rate of 2.8% (95% CI 2.6, 3.0) 20 years post-implementation. Given the challenges associated with ceasing tobacco use, these in silico experiments demonstrate the importance of regulatory public health interventions to delay, and therefore potentially prevent initiation

NbS3_{3}: A unique quasi one-dimensional conductor with three charge density wave transitions

Through transport, compositional and structural studies, we review the features of the charge-density wave (CDW) conductor of NbS$_{3}$ (phase II). We highlight three central results: 1) In addition to the previously reported CDW transitions at $T_{P1}$ = 360\,K and $T_{P2}$ = 150\,K, another CDW transition occurs at a much higher temperature $T_{P0}$ = 620-650\,K; evidence for the non-linear conductivity of this CDW is presented. 2) We show that CDW associated with the $T_{P2}$ - transition arises from S vacancies acting as donors. Such a CDW transition has not been observed before. 3) We show exceptional coherence of the $T_{P1}$-CDW at room-temperature. Additionally, we report on the effects of uniaxial strain on the CDW transition temperatures and transport.Comment: 16 pages, 18 figure