CuX(X=Al, Ga, In)分子的势能函数与稳定性的密度泛函研究

根据原子分子反应静力学原理导出了CuX(X=Al,Ga,In) 分子基态电子状态及其离解极限,并在B3LYP/LANL2DZ水平上计算了平衡几何、振动频率和解离能.利用Murrell-Sorbie 函数拟合出了解析势能函数,并计算出光谱参数和力常数.计算结果表明该分子体系是稳定存在的,其稳定性排序为 CuAl＞CuGa＞CuIn.     

Liouville theorem and coupling on negatively curved Riemannian manifolds

By using probabilistic approaches, Liouville theorems are proved for a class of Riemannian manifolds with Ricci curvatures bounded below by a negative function. Indeed, for these manifolds we prove that all harmonic functions (maps) with certain growth are constant. In particular, the well-known Liouville theorem due to Cheng for sublinear harmonic functions (maps) is generalized. Moreover, our results imply the Brownian coupling property for a class of negatively curved Riemannian manifolds. This leads to a negative answer to a question of Kendall concerning the Brownian coupling property.     

One-Parameter Fixed-Point Theory and Gradient Flows of Closed 1-Forms

We use the one-parameter fixed-point theory of Geoghegan and Nicas to get information about the closed orbit structure of transverse gradient flows of closed 1-forms on a closed manifold M. We define a noncommutative zeta function in an object related to the first Hochschild homology group of the Novikov ring associated to the 1-form and relate it to the torsion of a natural chain homotopy equivalence between the Novikov complex and a completed simplicial chain complex of the universal cover of M.     

不倒翁的力学分析

从力学上对不倒翁进行了分析，得出了对其配重位置的限定条件及其微振动的周期公式。     

On Extracting Maximum Stable Sets in Perfect Graphs Using Lovász's Theta Function

We study the maximum stable set problem. For a given graph, we establish several transformations among feasible solutions of different formulations of Lovász's theta function. We propose reductions from feasible solutions corresponding to a graph to those corresponding to its induced subgraphs. We develop an efficient, polynomial-time algorithm to extract a maximum stable set in a perfect graph using the theta function. Our algorithm iteratively transforms an approximate solution of the semidefinite formulation of the theta function into an approximate solution of another formulation, which is then used to identify a vertex that belongs to a maximum stable set. The subgraph induced by that vertex and its neighbors is removed and the same procedure is repeated on successively smaller graphs. We establish that solving the theta problem up to an adaptively chosen, fairly rough accuracy suffices in order for the algorithm to work properly. Furthermore, our algorithm successfully employs a warm-start strategy to recompute the theta function on smaller subgraphs. Computational results demonstrate that our algorithm can efficiently extract maximum stable sets in comparable time it takes to solve the theta problem on the original graph to optimality. This work was supported in part by NSF through CAREER Grant DMI-0237415. Part of this work was performed while the first author was at the Department of Applied Mathematics and Statisticsat Stony Brook University, Stony Brook, NY, USA.     

基于SVM局部后验概率融合方法研究

研究了基于支持向量机的后验概率的应用,提出了对样本集进行分解,以产生局部后验概率,根据模式的稳健性对局部后验概率进行凸组合融合的方法.     

The Cross-Entropy Method for Continuous Multi-Extremal Optimization

In recent years, the cross-entropy method has been successfully applied to a wide range of discrete optimization tasks. In this paper we consider the cross-entropy method in the context of continuous optimization. We demonstrate the effectiveness of the cross-entropy method for solving difficult continuous multi-extremal optimization problems, including those with non-linear constraints.      

Tight-binding method modelling of photonic crystal waveguides

We present here a tight-binding-like modelling of two-dimensional (2D) photonic crystals (PCs). Adopted from solid-state physics, the concept of generalized Wannier functions is used to construct a localized state basis that allows a parameter-free ab initio study of defects in PCs. We demonstrate here for a 2D triangular lattice of dielectric rods in air, the existence of this localized basis and the possibility to study large scale complex dielectric structures deviating from periodicity. Specific numerical simulations on a split waveguide embedded in this triangular lattice are performed, and they demonstrate the superiority of this method over plane wave based techniques.     

二分量高温超导机理

用两种电子态,讨论了金属—绝缘相变、反铁磁性—金属相变,以及相分离、正常态—超导态相变、非费米液体行为、高Tc等 关键词： 两种电子态 格林函数 玻色化 高温超导     

用随机模糊方法研究合理确定工程项目工期

站在兼顾业主与建造商的公正立场,基于网络优化技术基础上并以系统的观点,采用随机模糊数学方法研究合理确定项目工期,进而用实际项目进行分析验证,是一种科学合理确定工期的方法.