用偶幂级数处理Abel变换问题

本文提出了用偶幂级数代替对称分布函数,使其线积分成为递推可积,从而简化了Abel逆变换。引进权函数使本方法简单地过渡到非对称问题。对一组假想相移信号进行变换,获得了可靠的密度分布结果,并对影响变换精度的各种因素作了讨论。     

TiVI真空紫外光谱

用1m法向入射光谱仪观察三电极真空火花发射的Ti五次离化光谱。在24～200nm波段内观察到157条TiVI的新谱线。根据新归属的TiVI谱线定出11个新能级,并对5个有疑问的能级值作了修正。     

Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory

We present a method of fitting arbitrary functions to linear combinations of Gaussians. In particular, we discuss an adaptation of Prony's method, or separation of exponentials, which allows us to automatically select appropriate exponents for these Gaussians. We then apply this technique to the selection of dealiasing sets for pseudospectral electron correlation methods. We show that it can successfully choose functions that generally improve the accuracy of pseudospectral correlation energies while reducing the size of the dealiasing set chosen. © 1998 John Wiley & Sons, Inc. J Comput Chem 19: 1300–1314, 1998     

二维Euler方程无网格算法的精度分析

在几种典型的点云布点方案中,分析了文献[3]中的无网格算法的计算精度。分析指出影响无网格算法计算精度的主要因素是点云中点的分布是否平衡;增加点云中节点的数目或者采用高阶曲面拟合都不能提高精度;这里的理论分析为无网格算法的布点提供了重要参考。     

A quark model study of semileptonic baryon decays in the electronic decay modes

A relativistic quark model based on Dirac equation with the independent-quark confining potential of the form (1 +γ ⁰)[a ln(r/b)] is used to compute the weak electric and magnetic form factors for semileptonic baryonic decays in the electronic decay modes. The values obtained for (g ₂/g ₁) agree with the non relativistic results and those for (f ₂/f ₁) agree with the MIT bag model values of Donoghue and Holstein. The SU(3) symmetry breaking does not generate appreciable departures in (f ₂/f ₁) values from corresponding Cabibbo values.     

Weak electric and magnetic form factors for semileptonic baryon decays in a relativistic quark model

Weak electric and magnetic form factors for semileptonic baryon decays are calculated in a relativistic quark model based on the Dirac equation with the independent-quark confining potential of the formV _q(r)=1/2(1+γ ⁰)(a ² r+V ₀). The values obtained for (g ₂/g ₁) are not very much different from the nonrelativistic results of Donoghue and Holstein. The values of (g ₁/f ₁) extracted from our model calculations of (f ₂/f ₁) in the Cabibbo limit compare well with the experimental values. The values of (f ₂/f ₁) for various semileptonic transitions are also estimated incorporating phenomenologically the effect of nonzerog ₂ in the ratio (g ₁/f ₁). It is found that the SU(3)-symmetry breaking does not generate significant departures in (f ₂/f ₁) values from the corresponding Cabibbo predictions.     

SVD Analysis in Fitting Property Surfaces

Previous calculated spectral properties of Li₃⁺associated with the [6,7] vibrational band origins were rendered as uncertain, due to the exclusion of cross-terms involving the breathe mode normal co-ordinate in the analytic expansion of the dipole moment surface. However, by applying a singular value decomposition (SVD) analysis the exclusion of these terms is shown to be appropriate with respect to their negligible effect on fit (via the square root of the sum of the square of the residuals) thereby validating previous prognosis.     

Statistical fluctuations for the noise current from random telegraph signals in semiconductor devices: Monte Carlo computer simulations and best fits

Random Telegraph Signals (RTS) has become a major source of variability in the electrical behavior of modern transistors. The major contribution of this work is a new model based on a Monte Carlo algorithm for the mechanisms leading to RTS noise in semiconductor devices. To describe the statistical sample noise current produced by Monte Carlo simulations we experiment with many possible fits using different functions. In order to perform this fitting we follow two distinct approaches: (a) by calculating the sampling moments and by direct substitution in assumed distributions and (b) by performing a non-linear fit using the Levenberg Marquardt algorithm. Our results show a breaking of gaussianity for the nanometer dimensions of deeply scaled technologies, and we show that the ECS peak function is the most appropriate distribution to fit suitably the data for these dimensions. Another relevant contribution is the study of how ballistic effects can change the current distribution. The results indicate an enlargement of the average and variance of the total current when ballistic effects are considered, which are analytically expressed as a function of relevant physical parameters of the semiconductor device.     

THE DISTRIBUTION FUNCTION OF RESIDUE-RESIDUE CONTACTS IN PROTEIN MOLECULES

In protein molecules each residue has a different ability to form contacts.In this paper,we calculated the number of contacts per residue and investigated the distribution of residue-residue contacts from 495 globular protein molecules using Contacts of Structural Units(CSU)software.It was found that the probability P(n)of amino acid residues having n pairs of contacts in all contacts fits Gaussian distribution very well.The distribution function of residue-residue contacts can be expressed as:P(n)=P_0+aexp[-b(n-n_c)~2].In our calculation,P_0=-0.06,α=11.4,b=-0.04 and n_c=9.0.According to distribution function,we found that those hydrophobic(H)residues including Leu,Val,Ile,Met,Phe,Tyr,Cys,and Trp residues have large values of the most probable number of contact n_c,and hydrophilic(P)residues including Ala,Gly,Thr, His,Glu,Gln,Asp,Asn,Lys,Ser,Arg,and Pro residues have the small ones.We also compare with Fauchere-Pliska hydrophobicity scale(FPH)and the most probable number of contact n_c for 20 amino acid residues,and find that there exists a linear relationship between Fauchere-Pliska hydrophobicity scale(FPH)and the most probable number of contact n_c, and it is expressed as:n_c=a+b×FPH,here α=8.87,and b=1.15.It is important to further explain protein folding and its stability from residue-residue contacts.