整系数多项式是否存在有理根的几种判别法及应用

本文给出一类整系数多项式最多存在ｉ（ｉ＝０，１，２，…，ｎ－２）个有理根的判别法。并将文［３，４］中的主要结果作了进一步的推广。     

Differential–algebraic equations in multibody system modeling

Numerical methods for the efficient integration of both stiff and nonstiff equations of motion of multibody systems having the form of differential-algebraic equations (DAE) of index 3 are discussed. Linear multi-step ABM and BDF methods are considered for the non-iterational integration of nonstiff DAE. The Park method is proposed for integration of stiff equations. This revised version was published online in June 2006 with corrections to the Cover Date.     

论GIS模糊不确定性以及处理方法探讨

论述了GIS模糊不确定性的认识，介绍了不确定性的相关概念，阐述了GIS的模糊不确定性，及其处理方法。     

Inexact Newton methods for the nonlinear complementarity problem

An exact Newton method for solving a nonlinear complementarity problem consists of solving a sequence of linear complementarity subproblems. For problems of large size, solving the subproblems exactly can be very expensive. In this paper we study inexact Newton methods for solving the nonlinear, complementarity problem. In such an inexact method, the subproblems are solved only up to a certain degree of accuracy. The necessary accuracies that are needed to preserve the nice features of the exact Newton method are established and analyzed. We also discuss some extensions as well as an application. This research was based on work supported by the National Science Foundation under grant ECS-8407240.     

OrCAD9.2(EDA)软件用于电路分析的方法

OrCAD9.2是国际通用电子设计自动化(EDA)软件包，文中介绍了用该软件对电路进行噪声计算的方法，并给出用模拟分析计算的典型电路噪声，证明这种方法在分析复杂电路的噪声时方便、简单、准确。     

一类非光滑最优化信赖域算法

本文把通常的光滑信赖域算法推广到非光滑情形，目标函数仅为局部李普希兹连续，文中子问题的目标函数不必是通常的二次逼近形式。     

Geometry and electronic structure of a heterometallic cluster Mo<Subscript>2</Subscript>Mg<Subscript>2</Subscript> in different oxidation states of Mo: a DFT study

Reduction of tetranuclear heterometallic complex Mo₂Mg₂ was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex [Mo^VIO₂Mg(MeOH)₂(OMe)₄]₂ and a partially reduced Mo^V complex are in good agreement with experimental data. The reduced Mo^III complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008.     

Indirect boundary element method for unsteady linearized flow over prolate and oblate spheroids and hemispheroidal protuberances

The indirect boundary element method was used to study the hydrodynamics of oscillatory viscous flow over prolate and oblate spheroids, and over hemispheroidal bodies hinged to a plate. Analytic techniques, such as spheroidal coordinates, method of images, and series representations, were used to make the numerical methods more efficient. A novel method for computing the hydrodynamic torque was used, since for oscillatory flow the torque cannot be computed directly from the weightings. Instead, a Green's function for torque was derived to compute the torque indirectly from the weightings. For full spheroids, the method was checked by comparing the results to exact solutions at low and high frequencies, and to results computed using the singularity method. For hemispheroids hinged to a plate, the method for low frequencies was checked by comparing the results to previous results, and to exact solutions at high frequencies. Copyright © 2004 John Wiley & Sons, Ltd.     

A method and program for mass quantum chemical calculations of protein—ligand docking complexes

A new fast computational method for mass calculations of docking complexes by the AM1/PM3 semiempirical methods is proposed. The computation time is shortened by at least an order of magnitude compared to alternative schemes of quantum chemical calculations. The root-mean-square deviation of the AM1 calculated energies of formation of complexes from the results obtained by conventional diagonalization procedure is at most 0.4 kcal mol⁻¹. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 418–420, February, 2008.     

The modified characteristic finite difference fractional steps method for the coupled system of fluid dynamics in porous media and its analysis

For the coupled system of multilayer fluid dynamics in porous media, the modified characteristic finite difference fractional steps method applicable to parallel arithmetic is put forward and two‐dimensional and three‐dimensional schemes are used to form a complete set. Some techniques, such as calculus of variations, energy method, piecewise biquadratic interpolation, multiplicative commutation rule of difference operators, decomposition of high order difference operators and prior estimates are adopted. Optimal order estimates in L² norm are derived to determine the error in the approximate solution. This method has already been applied to the numerical simulation of multilayer fluid dynamics in porous media. © 2003 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 19: 665–681, 2003.