An eco-solution for track & trace of goods and third party logistics

This paper presents a new economic cost-effective solution known as the Web and telephony based method for tracking and tracing of goods and small and medium sized third party logistic providers. Considering that these companies usually operate on very flat margins, a comparison is made of the available track and trace technologies like GPS, mobile phone approximated GPS and Java based cell tracking in terms of costs, operating risks, and other evaluation criteria

Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial dimensions, this method allows us to obtain an exact characterisation of correlation, in the given basis, with a cost that scales only quadratically with the size of the system. The reduced scaling is achieved solely through integral screening and without the construction of correlation domains. We demonstrate the scaling, convergence, and robustness of the algorithm in polyenes and hydrogen chains. We converge to exact correlation energies (with 1-10 microhartree precision) in all cases and correlate up to 100 electrons in 100 active orbitals. We further use our algorithm to obtain exact energies for the metal-insulator transition in hydrogen chains and compare and contrast our results with those from conventional quantum chemical methods.Comment: 14 pages, 12 figures, tciLaTeX, aip-BibTeX styl

Entanglement growth in quench dynamics with variable range interactions

Studying entanglement growth in quantum dynamics provides both insight into the underlying microscopic processes and information about the complexity of the quantum states, which is related to the efficiency of simulations on classical computers. Recently, experiments with trapped ions, polar molecules, and Rydberg excitations have provided new opportunities to observe dynamics with long-range interactions. We explore nonequilibrium coherent dynamics after a quantum quench in such systems, identifying qualitatively different behavior as the exponent of algebraically decaying spin-spin interactions in a transverse Ising chain is varied. Computing the build-up of bipartite entanglement as well as mutual information between distant spins, we identify linear growth of entanglement entropy corresponding to propagation of quasiparticles for shorter range interactions, with the maximum rate of growth occurring when the Hamiltonian parameters match those for the quantum phase transition. Counter-intuitively, the growth of bipartite entanglement for long-range interactions is only logarithmic for most regimes, i.e., substantially slower than for shorter range interactions. Experiments with trapped ions allow for the realization of this system with a tunable interaction range, and we show that the different phenomena are robust for finite system sizes and in the presence of noise. These results can act as a direct guide for the generation of large-scale entanglement in such experiments, towards a regime where the entanglement growth can render existing classical simulations inefficient.Comment: 17 pages, 7 figure

Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and \beta-carotene

In previous work we have shown that the Density Matrix Renormalization Group (DMRG) enables near-exact calculations in active spaces much larger than are possible with traditional Complete Active Space algorithms. Here, we implement orbital optimisation with the Density Matrix Renormalization Group to further allow the self-consistent improvement of the active orbitals, as is done in the Complete Active Space Self-Consistent Field (CASSCF) method. We use our resulting DMRGCASSCF method to study the low-lying excited states of the all-trans polyenes up to C24H26 as well as \beta-carotene, correlating with near-exact accuracy the optimised complete \pi-valence space with up to 24 active electrons and orbitals, and analyse our results in the light of the recent discovery from Resonance Raman experiments of new optically dark states in the spectrum.Comment: 16 pages, 8 figure

Impact of exercise on articular cartilage in people at risk of, or with established, knee osteoarthritis: a systematic review of randomised controlled trials

This project is supported by a European Union Seventh Framework Programme (FP7-PEOPLE-2013-ITN; KNEEMO) under grant agreement number 607510.Peer reviewedPostprin

Compact magneto-optical sources of slow atoms

Three different configurations of compact magneto-optical sources of slow Rb atoms(LVIS, 2D(+)-MOT and 2D-MOT) were compared with each other at fixed geometry of cooling laser beams. A precise control of the intensity balances between the four separate transverse cooling laser beams provided a total continuous flux of cold atoms from the LVIS and 2D(+)-MOT sources about 8x10^9 atoms/s at total laser power of 60 mW. The flux was measured directly from the loading rate of a 3D-MOT, placed 34 cm downstream from the sources. Average velocities of the cooled atomic beam for the LVIS and 2D(+)-MOT sources were about 8.5 m/s and 11 m/s respectively. An essential advantage of the compact magneto-optical sources is that their background flux of thermal atoms is two to three orders of the magnitude smaller than the flux of slow atoms.Comment: 12 pages, 10 figures. to be published in Optics Communication

Theoretical calculations for solid oxygen under high pressure

The crystal structure of solid oxygen at low temperatures and at pressures up to 7 GPa is studied by theoretical calculations. In the calculations, the adiabatic potential of the crystal is approximated by a superposition of pair-potentials between oxygen molecules calculated by an ab-initio method. The monoclinic alpha structure is stable up to 6 GPa and calculated lattice parameters agree well with experiments. The origin of a distortion and that of an anisotropic lattice compressibility of the basal plane of alpha-O2 are clearly demonstrated. In the pressure range from 6 to 7 GPa, two kinds of structures are proposed by X-ray diffraction experiments: the alpha and orthorhombic delta structures. It is found that the energy difference between these structures becomes very small in this pressure range. The relation between this trend and the incompatible results of X-ray diffraction experiments is discussed.Comment: 12 pages, 6 figure

The crucial importance of the t2gt_{2g}--ege_g hybridization in transition metal oxides

We studied the influence of the trigonal distortion of the regular octahedron along the (111) direction, found in the $\rm CoO_2$ layers. Under such a distortion the $t_{2g}$ orbitals split into one $a_{1g}$ and two degenerated $e_g^\prime$ orbitals. We focused on the relative order of these orbitals. Using quantum chemical calculations of embedded clusters at different levels of theory, we analyzed the influence of the different effects not taken into account in the crystalline field theory; that is metal-ligand hybridization, long-range crystalline field, screening effects and orbital relaxation. We found that none of them are responsible for the relative order of the $t_{2g}$ orbitals. In fact, the trigonal distortion allows a mixing of the $t_{2g}$ and $e_g$ orbitals of the metallic atom. This hybridization is at the origin of the $a_{1g}$--$e_g^\prime$ relative order and of the incorrect prediction of the crystalline field theory