Improved third-order Møller-Plesset perturbation theory

Based on a partitioning of the total correlation energy into contributions from parallel‐ and antiparallel‐spin pairs of electrons, a modified third‐order Møller–Plesset (MP) perturbation theory is developed. The method, termed SCS–MP3 (SCS for spin‐component‐scaled) continues previous work on an improved version of MP2 (S. Grimme, J Chem Phys 2003, 118, 9095). A benchmark set of 32 isogyric reaction energies, 11 atomization energies, and 11 stretched geometries is used to assess to performance of the model in comparison to the standard quantum chemical approaches MP2, MP3, and QCISD(T). It is found, that the new method performs significantly better than usual MP2/MP3 and even outperforms the more costly QCISD method. Opposite to the usual MP series, the SCS third‐order correction uniformly improves the results. Dramatic enhancements are especially observed for the more difficult atomization energies, some of the stretched geometries, and reaction and ionization energies involving transition metal compounds where the method seems to be competitive or even superior to the widely used density functional approaches. Further tests performed for other complex systems (biradicals, C₂₀ isomers, transition states) demonstrate that the SCS–MP3 model yields often results of QCISD(T) accuracy. The uniformity with which the new approach improves for very different correlation problems indicates significant robustness, and suggests it as a valuable quantum chemical method of general use. © 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1529–1537, 2003     

分数阶黏弹性饱和地基与板的共同作用

基于层状分数阶黏弹性横观各向同性饱和地基的固结解答,采用边界元法与有限元法耦合的方法,探讨板与黏弹性饱和地基的共同作用。首先基于Mindlin中厚板理论,得到板的总刚度矩阵方程;随后引入分数阶黏弹性饱和地基的精细积分解答,获得地基柔度矩阵方程;最后利用板?土协调条件,得到黏弹性饱和地基与板共同作用的解答。与已有文献对比,验证了本文解的正确性,并讨论黏弹性饱和地基参数和地基加固深度等因素对筏板与地基共同作用的影响。     

一类带扰动的随机脉冲泛函微分方程解的渐近性北大核心CSCD

该文讨论了一类带扰动的随机脉冲泛函微分方程解的渐近性.通过比较扰动方程的解和原方程的解,得到了两者逼近的充分条件.首先,两者在有限的时间区间上相互逼近;其次,当扰动趋于零时,区间长度趋于无穷大,在这个区间上两个解仍然是相互逼近的.最后,举例说明了结果的有效性.     

Leray–Hopf solutions to a viscoelastoplastic fluid model with nonsmooth stress–strain relation

We consider a fluid model including viscoelastic and viscoplastic effects. The state is given by the fluid velocity and an internal stress tensor that is transported along the flow with the Zaremba–Jaumann derivative. Moreover, the stress tensor obeys a nonlinear and nonsmooth dissipation law as well as stress diffusion. We prove the existence of global-in-time weak solutions satisfying an energy inequality under general Dirichlet conditions for the velocity field and Neumann conditions for the stress tensor.     

Some problems of linear differential equations on abstract spaces and unbounded perturbations of linear operator semigroup

This paper is a survey for development of linear distributed parameter system. At first we point out some questions existing in current study of control theory for the L^p linear system with an unbounded control operator and an unbounded observation operator, such as stabilization problem and observer theory that are closely relevant to state feedback operator. After then we survey briefly some results on relevant problems that are related to solvability of linear differential equations in general Banach space and semigroup perturbations. As a principle, we propose a concept of admissible state feedback operator for system (A, B). Finally we give an existence result of admissible state feedback operators, including semigroup generation and the equivalent conditions of admissibility of state feedback operators, for an L^p well-posed system.     

Superexponential stability of KAM tori

We study the dynamics in the neighborhood of an invariant torus of a nearly integrable system. We provide an upper bound to the diffusion speed, which turns out to be of superexponentially small size exp[-exp(1/)], being the distance from the invariant torus. We also discuss the connection of this result with the existence of many invariant tori close to the considered one.     

Absence of absolutely continuous spectrum of Floquet operators

The spectrum of the Floquet operator associated with time-periodic perturbations of discrete Hamiltonians is considered. If the gap between successive eigenvalues _j of the unperturbed Hamiltonian grows as _j - _j-1 j and the multiplicity of _j grows asj with >0 asj tends to infinity, then the corresponding Floquet operator possesses no absolutely continuous spectrum provided the perturbation is smooth enough.     

竖壁下降液膜受热流动的不稳定性分析

利用液膜自由表面的温度随波动变化的关系,从理论上分析了饱和液膜在竖壁上受热流动因温度不均而存在表面张力波动的流动不稳定性,讨论了波数,雷诺数,壁面和液膜温差的影响。     

求解摄动问题的一种新方法

本文提出了求解摄动问题的一种新方法－变分迭代算法,这种方法不按小参数展开,而是先给出一个近似解,然扣用拉氏乘子法校正其近似解,而拉氏乘子可用分变分理论最佳识别。     

对流扩散方程参数识别的扰动方法

采取扰动方法确定对流扩散方程的未知参数,并应用正则化方法求解所得到的线性方程组,具有计算稳定,易于实行等优点。