Wavelet formulation of the polarizable continuum model

The first implementation of a wavelet discretization of the Integral Equation Formalism (IEF) for the Polarizable Continuum Model (PCM) is presented here. The method is based on the application of a general purpose wavelet solver on the cavity boundary to solve the integral equations of the IEF‐PCM problem. Wavelet methods provide attractive properties for the solution of the electrostatic problem at the cavity boundary: the system matrix is highly sparse and iterative solution schemes can be applied efficiently; the accuracy of the solver can be increased systematically and arbitrarily; for a given system, discretization error accuracy is achieved at a computational expense that scales linearly with the number of unknowns. The scaling of the computational time with the number of atoms N is formally quadratic but a N^1.5 scaling has been observed in practice. The current bottleneck is the evaluation of the potential integrals at the cavity boundary which scales linearly with the system size. To reduce this overhead, interpolation of the potential integrals on the cavity surface has been successfully used. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

平面三次Pythagorean-Hodograph Hyperbolic曲线

本文基于Pythagorean-hodograph (PH)曲线和代数双曲线的良好几何特性,构造了Pythagorean-Hodograph Hyperbolic (PH-H)曲线,并给出了PH-H曲线的定义以及相应性质.同时,分别利用Hyperbolic基函数和Algebraic Hyperbolic (AH) B\''ezier基函数,得到了平面三次AH B\''ezier曲线为PH曲线的两个不同的充要条件.此外,三次PH-H曲线也被用于求解具有确定解的$G^1$ Hermite插值问题.文中给出了具体实例来说明我们的方法.     

构造二元向量值有理插值函数的一种新方法

At present, the methods of constructing vector valued rational interpolation function in rectangular mesh are mainly presented by means of the branched continued fractions. In order to get vector valued rational interpolation function with lower degree and better approximation effect, the paper divides rectangular mesh into pieces by choosing nonnegative integer parameters d1 （0 〈 dl ≤ m） and d2 （0 ≤ d2≤ n）, builds bivariate polynomial vector interpolation for each piece, then combines with them properly. As compared with previous methods, the new method given by this paper is easy to compute and the degree for the interpolants is lower.     

n维散乱数据带自然边界条件多元多项式样条插值

考虑n维散乱数据Hermit-Birkhoff型插值问题,在使给定的目标泛极小的条件下,构造了一种带自然边界条件的多元多项式样条函数插值方法.重点研究了插值问题解的特征,存在唯一性和构造方法,并讨论了收敛性及误差,最后给出了一些数值算例对方法进行验证.     

半线性椭圆问题Petrov-Galerkin逼近及亏量迭代

本文考虑了二阶半线性椭圆问题的Petrov-Galerkin逼近格式,用双二次多项式空间作为形函数空间,用双线性多项式空间作为试探函数空间,证明了此逼近格式与标准的二次有限元逼近格式有同样的收敛阶.并且根据插值算子的逼近性质,进一步证明了半线性有限元解的亏量迭代序列收敛到Petrov-Galerkin解.     

∣x∣在调整的第二类Chebyshev结点组的有理插值

本文研究了Newman型有理算子逼近|x|的收敛速度,插值结点组X取调整的第二类Chebyshev结点组.利用上界估计得到确切的逼近阶为O 1n2.这个结果优于结点组取作第一、二类Chebyshev结点组、等距结点组和正切结点组.     

Circle approximation using LN Bézier curves of even degree and its application

We present an approximation method of circular arcs using linear-normal (LN) Bézier curves of even degree, four and higher. Our method achieves G^m$G^m$ continuity for endpoint interpolation of a circular arc by a LN Bézier curve of degree 2m  , for m=2,3$m=2,3$. We also present the exact Hausdorff distance between the circular arc and the approximating LN Bézier curve. We show that the LN curve has an approximation order of 2m+2$2m+2$, for m=2,3$m=2,3$. Our approximation method can be applied to offset approximation, so obtaining a rational Bézier curve as an offset approximant. We derive an algorithm for offset approximation based on the LN circle approximation and illustrate our method with some numerical examples.     

Lorentz spaces with variable exponents

We introduce Lorentz spaces and with variable exponents. We prove several basic properties of these spaces including embeddings and the identity . We also show that these spaces arise through real interpolation between and . Furthermore, we answer in a negative way the question posed in 12 whether the Marcinkiewicz interpolation theorem holds in the frame of Lebesgue spaces with variable integrability.     

A new Brézis‐Gallouët‐Wainger inequality from the viewpoint of the real interpolation functors

The Brézis‐Gallouët‐Wainger inequality describes a subtle embedding property into . The relation between the Brézis‐Gallouët‐Wainger inequality and the real interpolation functor together with the sharpness of the results is discussed in the present paper. As our first main results shows, it turns out that there are two intermediate terms between and the logarithmic boundedness, which is supposed to be the right‐hand side of the Brézis‐Gallouët‐Wainger inequality. As the second result, the first result is extended to inequalities which reflect the meaning of the second index of Besov spaces and the interpolation theorem.     

Hyponormality of bounded‐type Toeplitz operators

In this paper we deal with the hyponormality of Toeplitz operators with matrix‐valued symbols. The aim of this paper is to provide a tractable criterion for the hyponormality of bounded‐type Toeplitz operators (i.e., the symbol is a matrix‐valued function such that Φ and are of bounded type). In particular, we get a much simpler criterion for the hyponormality of when the co‐analytic part of the symbol Φ is a left divisor of the analytic part.