超导临界温度理论(Ⅰ)

本文求出了Eliashberg方程在T=T_c时的解,得到了下面的临界温度级数表示式: 其中α₀(μ^*),α₁(μ^*)等系数是μ^*的函数.此式表明,T_c不仅依赖于λ,〈ω²〉和μ^*,而且依赖于有效声子谱α²F(ω)的各级矩〈ω²n〉.这是区别于前人的T_c公式最重要的一点。这说明像McMillan以及Allen和Dynes的T_c公式不仅是近似的,而主要是他们没有能正确地概括出α²F(ω)对T_c的影响.     

Isonitrile ligand properties as studied by He I/He II photoelectron spectroscopy

A new series of isonitrile-substituted cobalt tricarbonyl nitrosyl (Co(CO)₂(NO)CNR, R = Me, Et, ⁿPr, ⁱPr, ⁿBu, ⁿPe, CH₂Si(CH₃)₃) has been synthesized, and their He I ultraviolet photoelectron spectra are reported. The assignment of the bands in the low energy part of the spectra was performed with the aid of DFT calculations. The first vertical ionization energies of the complexes were found to be 7.73 (CNMe), 7.58 (CNEt), 7.59 (CNⁿPr), 7.70 (CNⁿBu), 7.67 (CNⁿPe), 7.77 (CNⁱPr), and 7.54 ± 0.03 eV (CNCH₂Si(CH₃)₃). In the case of ⁿPr- and CH₂Si(CH₃)₃- substitutions, He II photoelectron spectra were also recorded. The relative importance of electronic and steric effects of the isonitrile ligands, as a function of the size of group –R, is discussed.     

Geodesics of the Structural Similarity index

We construct metrics from the geodesics of the Structural Similarity index, an image quality assessment measure. An analytical solution is given for the simple case of zero stability constants, and the general solution involving the numerical solution of a nonlinear equation is also found.     

Generation, spectroscopy, and structure of cyanoformyl chloride and cyanoformyl bromide, XC(O)CN

Cyanoformyl chloride and cyanoformyl bromide, XC(O)CN (X = Cl and Br), have been investigated in the gas phase by UV photoelectron and mid-infrared spectroscopies. The ground-state geometries of the neutral molecules have been obtained from quantum-chemical calculations at the B3LYP and CCSD(T) levels using the aug-cc-pVTZ basis set. The individual spectroscopies provide a detailed investigation into the vibrational and electronic character of the molecules and are supported by quantum-chemical calculations. The results are compared to data for structurally and chemically related molecules.     

高温高密度氦的压缩特性及其结构的分子动力学模拟

用分子动力学方法和不同参数的指数 6势函数计算了T =30 4K的高密度氦的等温压缩线和能量分布 .给出了能精确描述高密度氦原子间相互作用的指数 6势函数优化参数 .并用优化的势函数计算了高密度氦T =30 0K和T =2 98K的等温压缩线 ,计算结果和实验值非常吻合 .进一步用优化的势函数模拟了高温高密度氦的状态方程及其结构 ,发现当把 ρ限定为 1 .6 0g /cm³ 时 ,其径向分布函数的第 2个峰将在 2 0 0 0～ 30 40K区间消失 ,表明此时发生了固 液相变过程 .     

Reactivity sequences of dipolarophiles towards diazocarbonyl compounds - MO perturbation treatment

Whereas diazomethane cycloadditions are only accelerated by electron-attracting substituents in the olefinic or acetylenic dipolarophile, the cycloadditions of diazoacetic, diazomalonic and diazo(phenylsulfonyl)acetic ester show in accordance with the PMO treatment U-shaped activity functions when log k₂ is plotted versus the lowest IP of the dipolarophiles.     

Theory of the input power-dependence of the electron heating in n-inversion layers

The average energy loss P of hot electrons due to the interaction with acoustic bulk phonons is calculated and used to determine the electron heating temperature Δ as a function of the input power eμE². It is found that P creases proportional to Δ² and is independent of the carrier concentration. Consequently the ratio Δ/√ eμE² turns out to be a constant $\text{(0.75 × 10}{}^{\mathrm{?2}}\text{K/(eV/s)}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ for $\text{n-Si and 2.04 × 10}{}^{\mathrm{?2}}\text{K/(eV/s)}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ for n-GaAs) in agreement with the experimental data deduced from FIR-emission experiments at T = 4.2 K.