Search results for "square"
showing 10 items of 1317 documents
Near-IR Galaxy Counts and Evolution from the Wide-Field ALHAMBRA survey
2009
arxiv:0902.2403v1
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
2006
To reduce remaining basis-set errors in the determination of molecular equilibrium geometries, a basis-set extrapolation (BSE) scheme is suggested for the forces used in geometry optimizations. The proposed BSE scheme is based on separating the Hartree-Fock and electron-correlation contributions and uses expressions obtained by straightforward differentiation of well established extrapolation formulas for energies when using basis sets from Dunning's hierarchy of correlation-consistent basis sets. Comparison with reference data obtained at the R12 coupled-cluster level [CCSD(T)-R12] demonstrates that BSE significantly accelerates the convergence to the basis-set limit, thus leading to impro…
Molecular equilibrium geometries based on coupled-cluster calculations including quadruple excitations
2005
Using analytic gradient techniques and an additivity scheme for the various electron correlation contributions, i.e. core-correlation, contribution due to full treatment of triple excitations and contributions due to quadruple excitations calculated with different basis sets, the accuracy of computed geometrical parameters are analysed in comparison with experiment. For a test set of 12 closed-shell and 5 open-shell molecules, it is found that inclusion of quadruple excitations is essential to reach agreement with experiment. The mean error of 0.002 pm and the standard deviation of 0.040 pm of the present CCSD(T)/cc-pV6Z + core(CCSD(T)/cc-pCVQZ) + T/cc-pVTZ + Q/cc-pVDZ results for the close…
Conditions for waveguide decoupling in square-lattice photonic crystals
2004
We study coupling and decoupling of parallel waveguides in two-dimensional square-lattice photonic crystals. We show that the waveguide coupling is prohibited at some wavelengths when there is an odd number of rows between the waveguides. In contrast, decoupling does not take place when there is even number of rows between the waveguides. Decoupling can be used to avoid cross talk between adjacent waveguides.
Numerical Study of the semiclassical limit of the Davey-Stewartson II equations
2014
We present the first detailed numerical study of the semiclassical limit of the Davey–Stewartson II equations both for the focusing and the defocusing variant. We concentrate on rapidly decreasing initial data with a single hump. The formal limit of these equations for vanishing semiclassical parameter , the semiclassical equations, is numerically integrated up to the formation of a shock. The use of parallelized algorithms allows one to determine the critical time tc and the critical solution for these 2 + 1-dimensional shocks. It is shown that the solutions generically break in isolated points similarly to the case of the 1 + 1-dimensional cubic nonlinear Schrodinger equation, i.e., cubic…
Ti2Sn3: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature
2000
Ti2Sn3 was obtained by chemical transport using iodine as the transport agent in a sealed quartz ampule at 500 °C. Its crystal structurea new type structurewas determined via single-crystal structure analysis to be orthorhombic, space group Cmca, a = 595.56(4), b = 1996.4(2), c = 702.81(5) pm, V = 835.6(1) × 106 pm3, and Z = 8. The structure can be derived from a three-dimensional condensation of a single polyhedron, which comprises a Ti atom in the center, surrounded by seven Sn and four Ti atoms forming a tri-capped square antiprism. Supporting the results of the self-consistent band structure calculations, Ti2Sn3 is a metallic p-type conductor, exhibiting Pauli paramagnetism and a specif…
Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(ii) complexes
2002
The new croconato-bridged copper(II) compounds [Cu2(terpy)2(H2O)2(C5O5)](NO3)2·H2O (1) and [Cu3(phen)5(C5O5)2](CF3SO3)2 (2) (C5O52− = croconate, dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione; terpy = 2,2′:6′,2″-terpyridine; phen = 1,10-phenanthroline) have been prepared, and their crystal structures and variable temperature magnetic susceptibilities determined. The structure of complex 1 consists of croconato-bridged dinuclear [Cu2(terpy)2(H2O)2(C5O5)]2+ complex ions, nitrate counter ions and water of hydration. The croconato ligand exhibits an asymmetrical bis-bidentate coordination mode through four of its five oxygen atoms. The two crystallographically independent copper atoms hav…
Syntheses, crystal structures and magnetic properties of dinuclear copper(II) complexes with pyrazino[2,3-f ][4,7]phenanthroline (pap) as bridging l…
2000
Three dinuclear copper(II) complexes with pyrazino[2,3-f][4,7]phenanthroline (pap) as bridging ligand have been prepared; [Cu2(pap)(C2O4)2]·5H2O 1, [Cu2(pap)(H2O)7(SO4)]SO4·3H2O 2 and [Cu2(pap)(H2O)3(NO3)3]NO33. These are the first metal complexes of pap which have been characterized by X-ray crystallography and magnetic susceptibility measurements. In 1 the dinuclear complex is intercepted by a mirror plane; the bridging pap and the terminal oxalate ligands are bidentate in the equatorial plane of copper. In addition copper has weak axial interactions to oxygen atoms of oxalate in two neighbouring molecules. In 2 the two crystallograpically independent copper atoms are both six-co-ordinate…
Tensor decomposition of EEG signals: A brief review
2015
Electroencephalography (EEG) is one fundamental tool for functional brain imaging. EEG signals tend to be represented by a vector or a matrix to facilitate data processing and analysis with generally understood methodologies like time-series analysis, spectral analysis and matrix decomposition. Indeed, EEG signals are often naturally born with more than two modes of time and space, and they can be denoted by a multi-way array called as tensor. This review summarizes the current progress of tensor decomposition of EEG signals with three aspects. The first is about the existing modes and tensors of EEG signals. Second, two fundamental tensor decomposition models, canonical polyadic decomposit…
Transfer of plasmid DNA into cells with microelectroporation arrays on a chip
2000
The possibility to transfer pure DNA into bacterial cells forms the basis for the genetic engineering of the cell. Electroporation is a powerful and easy technique to introduce plasmid DNA into cells. Its drawback for use with high-throughput approaches is that with standard electroporation chambers the reactions have to carried out one after the other and the electroporation cuvettes are expensive. To obtain the possibility of high-throughput electroporation reactions Escherichia coli cells were electroinjected in parallel with different plasmids in reactions as small as 100 nl on a microstructured array of electrodes, forming hundred separate electroporation units on a chip of a square in…