Electronic structure and Fermi surface tolopogy of Nax_xCoO2_2

We construct an effective Hamiltonian for the motion of T2g highly correlated states in NaxCoO2. We solve exactly a multiband model in a CoO6 cluster with electronic occupation corresponding to a nominal Co valence of either +3 or +4. Using the ensuing ground states, we calculate the effective O mediated hopping t=0.10 eV between many-body T2g states, and estimate the direct hopping t'~0.04 eV. The trigonal splitting 3D=0.315 eV is taken from recent quantum chemistry calculations. The resulting effective Hamiltonian is solved using a generalized slave-boson mean-field approximation. The results show a significant band renormalization and a Fermi surface topology that agrees with experiment, in contrast to predictions using the local-density approximation.Comment: 4 pages, 2 figure

An exact sequence for contact- and symplectic homology

A symplectic manifold $W$ with contact type boundary $M = \partial W$ induces a linearization of the contact homology of $M$ with corresponding linearized contact homology $HC(M)$. We establish a Gysin-type exact sequence in which the symplectic homology $SH(W)$ of $W$ maps to $HC(M)$, which in turn maps to $HC(M)$, by a map of degree -2, which then maps to $SH(W)$. Furthermore, we give a description of the degree -2 map in terms of rational holomorphic curves with constrained asymptotic markers, in the symplectization of $M$.Comment: Final version. Changes for v2: Proof of main theorem supplemented with detailed discussion of continuation maps. Description of degree -2 map rewritten with emphasis on asymptotic markers. Sec. 5.2 rewritten with emphasis on 0-dim. moduli spaces. Transversality discussion reorganized for clarity (now Remark 9). Various other minor modification

Identification of nickel-vacancy defect in the photocurrent spectrum of diamond by means of \emph{ab initio} calculations

There is a continuous search for solid-state spin qubits operating at room temperature with excitation in the IR communication bandwidth. Recently we have introduced the photoelectric detection of magnetic resonance (PDMR) to read the electron spin state of nitrogen-vacancy (NV) center in diamond, a technique which is promising for applications in quantum information technology. By measuring photoionization spectra on a diamond crystal we found two ionization thresholds that were not reported before. On the same sample we also observed absorption and photoluminescence signatures that were identified in literature as Ni associated defects. We performed \emph{ab initio} calculation of the photo-ionization cross-section of the nickel split vacancy complex (NiV) and N-related defects in their relevant charge states and fitted the concentration of these defects to the measured photocurrent spectrum, which led to a surprising match between experimental and calculated spectra. This study enabled to identify the two unknown ionization thresholds with the two acceptor levels of NiV. Because the excitation of NiV is in infrared, the photocurrent detected from the paramagnetic NiV color centers is a promising way towards designing a novel type of electrically readout qubits.Comment: 3 figures, 2 table

Highly efficient synthesis of the tricyclic core of Taxol by cascade metathesis

An efficient enantioselective synthesis of the ABC tricyclic core of the anticancer drug Taxol is reported. The key step of this synthesis is a cascade metathesis reaction, which leads in one operation to the required tricycle if appropriate fine-tuning of the dienyne precursor is performed

Energy Demand Shifting in Residential Households: The Interdependence between Social Practices and Technology Design

Emerging energy technologies, such as smart meters and solar photovoltaic systems (solar PV), are changing our relationship to energy. There is increasing evidence that households with solar PV on their roof tend naturally to shift their energy consumption in time to match their local generation, but what do people actually do to achieve this and how ICT can support them to optimize their consumption? In this paper we present a year-long user study to understand social practices around laundry routines and local energy generation. We highlight four challenges for the next generation of home energy management systems

A bright future for financial agent-based models

The history of research in finance and economics has been widely impacted by the field of Agent-based Computational Economics (ACE). While at the same time being popular among natural science researchers for its proximity to the successful methods of physics and chemistry for example, the field of ACE has also received critics by a part of the social science community for its lack of empiricism. Yet recent trends have shifted the weights of these general arguments and potentially given ACE a whole new range of realism. At the base of these trends are found two present-day major scientific breakthroughs: the steady shift of psychology towards a hard science due to the advances of neuropsychology, and the progress of artificial intelligence and more specifically machine learning due to increasing computational power and big data. These two have also found common fields of study in the form of computational neuroscience, and human-computer interaction, among others. We outline here the main lines of a computational research study of collective economic behavior via Agent-Based Models (ABM) or Multi-Agent System (MAS), where each agent would be endowed with specific cognitive and behavioral biases known to the field of neuroeconomics, and at the same time autonomously implement rational quantitative financial strategies updated by machine learning. We postulate that such ABMs would offer a whole new range of realism

Understanding and Supporting Emerging Domestic Energy Practices

The current transformation of the domestic energy landscape, including local generation, new consumption and storage, requires rethinking our research approach. This paper reports experiences from two case studies with their implications for future HCI research in the home

The Management of Performance Anxiety with Beta-Adrenergic Blocking Agents

Performance anxiety consists of several symptoms experienced in the context of public performance and is classified in DSM-III-R under social phobia. Performance anxiety must be distinguished from panic disorder, generalized social phobia, and generalized anxiety disorder. Performance anxiety symptoms can be detrimental to both performer and performance. These symptoms can be controlled by the judicious use of beta-adrenergic blocking agents. The use of beta-adrenergic blocking agents should be considered as part of a psychiatric stress-management program for these patients