一类非线性Schr(o)dinger方程的守恒差分法与Fourier谱方法

考察了一类带导数项的非线性Schrodinger方程的周期边值问题，提出了一种守恒的差分格式，在空间方向上采用Fourier谱方法，证明了格式的稳定性和收敛性．数值试验得到了与理论分析一致的结果．     

A rational approximation and its applications to nonlinear partial differential equations on the whole line

An orthogonal system of rational functions is discussed. Some inverse inequalities, imbedding inequalities and approximation results are obtained. Two model problems are considered. The stabilities and convergences of proposed rational spectral schemes and rational pseudospectral schemes are proved. The techniques used in this paper are also applicable to other problems on the whole line. Numerical results show the efficiency of this approach.     

Carathéodory's method for a class of dynamic games

The method of equivalent variational methods, originally due to Carathéodory for free problems in the calculus of variations is extended to investigate feedback Nash equilibria for a class of n-person differential games. Both the finite-horizon and infinite-horizon cases are considered. Examples are given to illustrate the presented results.     

用Riccati变换求解同调谐振子

利用Riccati变换求解同谐谐振子的定态薛定谔方程,求得了能谱及态函数 关键词： 同调谐振子 本征值谱 Riccati变换法     

理论研究C8H80-（H2O）n（n=1～5）团簇

应用密度泛函B3LYP／6—31＋G（d，p）方法对C8H80-（H2O）n（n=1～5）团簇这种弱相互作用体系进行垒自由度能量梯度优化，得到该系列团簇的稳定蛄构．计算结果表明。在该系列二元团簇中，一方面水分子数目的多少对苯基丙酮分子的结构影响很小，另一方面由于苯基丙酮分子的存在，破坏了团簇中水分子的对称性结构，在团簇内部极力形成O—H—O这样弯曲的有方向性的氢键．对苯基丙酮-水这样结构复杂的团簇，指认光谱的难度非常大，本文只讨论了与C=O有关的振动峰和水分子的对称伸缩振动的最强峰．     

Method of lines with boundary elements for 1‐D transient diffusion‐reaction problems

Time‐dependent differential equations can be solved using the concept of method of lines (MOL) together with the boundary element (BE) representation for the spatial linear part of the equation. The BE method alleviates the need for spatial discretization and casts the problem in an integral format. Hence errors associated with the numerical approximation of the spatial derivatives are totally eliminated. An element level local cubic approximation is used for the variable at each time step to facilitate the time marching and the nonlinear terms are represented in a semi‐implicit manner by a local linearization at each time step. The accuracy of the method has been illustrated on a number of test problems of engineering significance. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2006     

Lorenz混沌系统的输入—输出性质分析

研究了Lorenz混沌系统的一类输入—输出性质，采用Lyapunov直接方法和数值仿真等研究方法，对Lorenz混沌系统的解的范数分别与输入信号的振幅、角频率之间的关系进行了分析，得出了诸多有意义而在线性系统中没有的结论，这对进一步研究Lorenz系统有重要的参考意义。     

On an Application of Newton's Method to Nonlinear Operators with w-Conditioned Second Derivative

We present a new approach to study the convergence of Newton's method in Banach spaces, which relax the conditions appearing in the usual studies. The approach is based on the bound required for the second derivative of the operator involved. An application to a nonlinear integral equation is presented.     

Numerical solutions of the shallow water equations with discontinuous bed topography

A simple scheme is developed for treatment of vertical bed topography in shallow water flows. The effect of the vertical step on flows is modelled with the shallow water equations including local energy loss terms. The bed elevation is denoted with z_b^‐ for the left and z_b⁺ for the right values at each grid point, hence exactly representing a discontinuity in the bed topography. The surface gradient method (SGM) is generalized to reconstruct water depths at cell interfaces involving a vertical step so that the fluxes at the cell interfaces can accurately be calculated with a Riemann solver. The scheme is verified by predicting a surge crossing a step, a tidal flow over a step and dam‐break flows on wet/dry beds. The results have shown good agreements compared with analytical solutions and available experimental data. The scheme is efficient, robust, and may be used for practical flow calculations. Copyright © 2002 John Wiley & Sons, Ltd.     

General strategy for a short and efficient synthesis of 3-hydroxy-4-methylprolines (HMP)

The non-proteinogenic amino acid 3-hydroxy-4-methylproline (HMP) is an active constituent of some potent antimicrobials including echinocandins, nostopeptins, pneumocandins, sporiofungin and mulundocandins. A synthesis has been achieved in 10 steps with 29% overall yield; the Evans’ aldol reaction using Crimmins’ modified method was pivotal to the success of the strategy.