Prospects for release-node quantum Monte Carlo

We perform release-node quantum Monte Carlo simulations on the first row diatomic molecules in order to assess how accurately their ground-state energies can be obtained. An analysis of the fermion-boson energy difference is shown to be strongly dependent on the nuclear charge, Z, which in turn determines the growth of variance of the release-node energy. It is possible to use maximum entropy analysis to extrapolate to ground-state energies only for the low Z elements. For the higher Z dimers beyond boron, the error growth is too large to allow accurate data for long enough imaginary times. Within the limit of our statistics we were able to estimate, in atomic units, the ground-state energy of Li(2) (-14.9947(1)), Be(2) (-29.3367(7)), and B(2)(-49.410(2)).     

纯应力边界条件下的平面弹性问题的一个二阶非协调矩形元

1引言对于几乎不可压材料,当材料的Lame常数λ→∞时,通常的低阶协调有限元的解不再收敛到原问题的解或达不到最优收敛阶,这就是弹性材料的Locking现象[1,2,3,5,4].为了克服Locking问题,目前已提出许多有效的方法.例如:采用高次元[6,7,8]、非协调元[4,9,10,11]和混合有限元方法[1,2,12,13]等.     

A Necessary Condition of the Cardinal

In this paper the auther begins with some known results about η_λ(=the least cardinal K such that K→(λ)~<∞), proving this theorem: If λ is not Ramsey cardinal and η_λ exists, then for every a<η_λ there is a weakly compact cardinal γ, such that λ<γ_α<η_λandγ_α<γ_βwhenever a<β<η_λ, therefore η_λ is the limit of the sequence(γ_α:a<η_λ), i.e. η_λ=limγ_α. The theorem is mainly based on the theory of models with indiscernibles.     

NdFeO3纳米晶的合成及气敏性能

以Nd2O3,Fe(NO3)3·9H2O,硝酸(1∶1)为原料,在柠檬酸体系中用溶胶凝胶法合成了具有钙钛矿结构的稀土复合氧化物NdFeO3;用XRD和TEM对产物的组成、颗粒大小、形貌进行了表征;结果表明:产物为纳米颗粒,平均粒径为28nm左右,且颗粒均匀。还采用静态配气法测试了材料的气敏性能,发现NdFeO3对H2S有很高的灵敏度,且抗干扰能力强,有较好的工业应用前景。     

Preparation and Application of a Nanocomposite (MPNS/SMA) in Leather Making

Environmental pollution is one of headache problems in leather tanning industry.Traditionally chrome tanning was the predominant technique used in leather making.However,chrome tanning is being substituted due to its pollution and scarcity of resource.The study of non-chrome tanning in leather shows more interests with the development of nanomaterial and nanotechnology.J.Z.Ma et al.have reported that organic–montmorillonite nanocomposite can raise the shrinkage temperature of pickled pigskin…     

分光光度法直接测定天然水中微量钼

本文研究了罗丹明B与硫氰酸钼形成红色络合物的问题,提出了分光光度法直接测定天然水中微量钼的新方法,方法灵敏(_600~ε=1.88×10~5)干扰少,相对标准偏差小于7%。检出限为2ppb。     

Synthesis and Characterization of an Unexpected Asymmetric Binuclear Copper(I) Complex Containing 4-Vinyl-pyridine

Introduction Many examples of complexes containing the eight-membered ring M(-dppm)M' are known with a variety of metals, oxidation states and stereochemis-tries.1-4 In general, they contain trans-bound, bridging dppm ligands to give a planar M2P4 core structure with the two metal atoms held in close proximity to each other (regardless of whether a metal-metal bond is pre-sent or not). This feature is presumably one of the chief reasons for the unusual bonding, reactivity and catalytic prope…     

A novel one-dimensional organic-inorganic polymer: synthesis and crystal structure of[{Ca(DMF)_5}_2SiMo_(12)O_(40)]_n

A novel polyoxometalate-based organic-inorganic polymer [{Ca(DMF)5}2SiMo12O40]n has been synthesized and characterized by elemental analysis, IR, UV and X-ray single-crystal structural analysis. The title compound crystallizes in a monocline lattice, P21/n, with a =1.3379(3), b = 1.9796(4), c = 1.4574(3) nm, β = 92.24(3)°, V = 3.8568(13) nm3, Z = 2, R1 = 0.083 and Rw = 0.2065. The result of crystal structure analysis indicates that Ca2+ is surrounded by seven coordination oxygen atoms with pentagonal bipyramidal geometry and bridged with terminal oxygen atom of polyanion in the structure. The compound contains an unprecedented one-dimensional linear chain built by alternate polyanions and cationic units through Mo-Od-Ca-O-Ca links in crystal. The IR spectra and X-ray crystallography analysis exhibit that there is a strong interaction between the polyanion and organic group in solid state. The electronic spectra (λ = 200-500 nm) for the title compound dissolved in the mixed solvent of acetonitrile and     

Synthesis, structure and characterization of binuclear copper(Ⅱ) complexes

At room temperature, dibenzoyl peroxide undergoes oxidative addition reaction with metallic copper powder and pyridine N-oxide (triphenylphosphine oxide or 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolin) which affords the last products as binuclear copper(II) complexes, [Cu(C5H5NO)-(C6H5COO)2]2(1), [Cu(OPPh3)(C6H5COO)2]2(2) and [Cu(C6H5COO)(C26H2oN2)](3, C26H2oN2 is 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolin). The structure of the complexes were characterized by elemental analyses, IR spectra, TG-DTA and magnetic property. Crystals(1) are triclinic, space group P1,a=0.92617(36),b=1.06973(17), c=1.08813(29) nm, a=59.60(2)°, β=74.83(3)°,γ=72.80(2)°, V=0.880 nm3, Dc=1.520 g/cm3, Z=1, R=0.044, Rw=0.048, Mr=805.78, 3477 reflections with I > 3σ(I). Each copper(Ⅱ) ion is coordinated by two bridging bidentate benzoate ligands and one pyridine N-oxide or triphenylphosphine oxide to form dimeric binuclear molecules. The structure of the compound(1) shows a clear centre of symmetry.     

复Banach空间单位球上几类映射的增长掩盖定理

对α次的殆β型螺形映射,α次的β型螺形映射和α次的强β型螺形映射,给出了定义,并且在复Banach空间中的单位球上分别得到它们的增长掩盖定理．