The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach

We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the projection of some two-electron reduced Hamiltonian on the dual cone of $N$-representability conditions. Some numerical results validate the approach, both for equilibrium geometries and for the dissociation curve of N$_2$

Variational methods in relativistic quantum mechanics

This review is devoted to the study of stationary solutions of linear and nonlinear equations from relativistic quantum mechanics, involving the Dirac operator. The solutions are found as critical points of an energy functional. Contrary to the Laplacian appearing in the equations of nonrelativistic quantum mechanics, the Dirac operator has a negative continuous spectrum which is not bounded from below. This has two main consequences. First, the energy functional is strongly indefinite. Second, the Euler-Lagrange equations are linear or nonlinear eigenvalue problems with eigenvalues lying in a spectral gap (between the negative and positive continuous spectra). Moreover, since we work in the space domain R^3, the Palais-Smale condition is not satisfied. For these reasons, the problems discussed in this review pose a challenge in the Calculus of Variations. The existence proofs involve sophisticated tools from nonlinear analysis and have required new variational methods which are now applied to other problems

A cooperative Pd-Cu system for direct C-H bond arylation

The authors are grateful to the Royal Society (University Research Fellowship to CSJC) for financial support.A novel and efficient method for C-H arylation using well-defined Pd- and Cu-NHC systems has been developed. This process promotes the challenging construction of C-C bonds from arenes or heteroarenes using aryl bromides and chlorides. Mechanistic studies show that [Cu(OH)(NHC)] plays a key role in the C-H activation and is involved in the transmetallation with the Pd-NHC co-catalyst.Publisher PDFPeer reviewe

Characters of graded parafermion conformal field theory

The graded parafermion conformal field theory at level k is a close cousin of the much-studied Z_k parafermion model. Three character formulas for the graded parafermion theory are presented, one bosonic, one fermionic (both previously known) and one of spinon type (which is new). The main result of this paper is a proof of the equivalence of these three forms using q-series methods combined with the combinatorics of lattice paths. The pivotal step in our approach is the observation that the graded parafermion theory -- which is equivalent to the coset osp(1,2)_k/ u(1) -- can be factored as (osp(1,2)_k/ su(2)_k) x (su(2)_k/ u(1)), with the two cosets on the right equivalent to the minimal model M(k+2,2k+3) and the Z_k parafermion model, respectively. This factorisation allows for a new combinatorial description of the graded parafermion characters in terms of the one-dimensional configuration sums of the (k+1)-state Andrews--Baxter--Forrester model.Comment: 36 page

From RE-211 to RE-123. How to control the final microstructure of superconducting single-domains

This paper reviews the usual techniques for producing YBCO-type single-domains and the microstructure of the as-obtained samples. The problems of seed dissolution and parasite nucleations are discussed in details. Formation of microstructural defects, such as pores and cracks, are examined. An important part of this review is devoted to the study of the influence of RE-211 particles [RE2BaCuO5 where RE denotes Y, Yb, Nd, Sm, Dy, Gd, Eu or a mixture of them. Generally Nd4Ba2Cu2O10 is preferred to Nd2BaCuO5] on the microstructure and properties of RE-Ba-Cu-O single-domains. Trapping/Pushing theory is described in order to explain the spatial distribution of RE-211 particles in the RE-123 [(RE)Ba2Cu3O7-d] monoliths. Formation of RE-211-free regions is discussed. Different ways to limit the RE-211 coarsening are reviewed. Microstructural defects in the RE-123 matrix caused by the RE-211 particles are presented. It is also shown that RE-211 particles play a significant role on the mechanical properties of single-domain samples. We finish this review by discussing the Infiltration and Growth process as a good technique to control the microstructure.Comment: review paper to be published in Supercond. Sci. Technol.; 19 figures; 137 references; 37 page

DASCH 100-yr light curves of high-mass X-ray binaries

We analyzed the 100-yr light curves of Galactic high-mass X-ray binaries using the Harvard photographic plate collection, made accessible through the DASCH project (Digital Access to a Sky Century at Harvard). As scanning is still in progress, we focus on the four objects that are currently well covered: the supergiant X-ray binary Cyg X-1 (V1357 Cyg), and the Be X-ray binaries 1H 1936+541 (BD+53 2262), RX J1744.7-2713 (HD 161103), and RX J2030.5+4751 (SAO 49725), the latter two objects being similar to gamma Cas. The star associated with Cyg X-1 does not show evidence for variability with an amplitude higher than 0.3 magnitude over a hundred years. We found significant variability of one magnitude with timescales of more than 10 years for SAO 49725, as well as a possible period of 500-600 days and an amplitude of 0.05 magnitude that might be the orbital, or super-orbital period of the system. The data is insufficient to conclude for HD 161103 but suggests a similar long-term variability. We thus observe an additional characteristic of gamma Cas-like objects: their long-term variability. This variability seems to be due to the slow evolution of a decretion disk around the Be star, but may be triggered by the presence of a compact object in the system, possibly a white dwarf. This characteristic could be used to identify further similar objects otherwise difficult to detect.Comment: Accepted for publication in Proceedings of Science (INTEGRAL 2012), Eds. A. Goldwurm, F. Lebrun and C. Winkler, based on a presentation at the 9th INTEGRAL Workshop "An INTEGRAL view of the high-energy sky (the first 10 years)", October 15-19, 2012, Paris, Franc

The nanoscale phase separation in hole-doped manganites

A macroscopic phase separation, in which ferromagnetic clusters are observed in an insulating matrix, is sometimes observed, and believed to be essential to the colossal magnetoresistive (CMR) properties of manganese oxides. The application of a magnetic field may indeed trigger large magnetoresistance effects due to the percolation between clusters allowing the movement of the charge carriers. However, this macroscopic phase separation is mainly related to extrinsic defects or impurities, which hinder the long-ranged charge-orbital order of the system. We show in the present article that rather than the macroscopic phase separation, an homogeneous short-ranged charge-orbital order accompanied by a spin glass state occurs, as an intrinsic result of the uniformity of the random potential perturbation induced by the solid solution of the cations on the $A$-sites of the structure of these materials. Hence the phase separation does occur, but in a more subtle and interesting nanoscopic form, here referred as ``homogeneous''. Remarkably, this ``nanoscale phase separation'' alone is able to bring forth the colossal magnetoresistance in the perovskite manganites, and is potentially relevant to a wide variety of other magnetic and/or electrical properties of manganites, as well as many other transition metal oxides, in bulk or thin film form as we exemplify throughout the article.Comment: jpsj2 TeX style (J. Phys. Soc. Jpn); 18 pages, 7 figure