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121.
利用量子化学密度泛函理论B3LYP方法及 6 31G(d ,p)、6 311G(d ,p)、6 31+G(d ,p)和 6 311+G(d ,p)基组对五氟代吡啶、2 ,6 二氟代吡啶和 2 氟代吡啶分子的阳离子进行了计算研究 .B3LYP构型优化和频率分析计算结果表明这三种氟代吡啶阳离子的结构分别具有C2v、C2v和Cs 对称性 ,电子基态分别为2 A2 、2 A2 和2 A″ .对离子和分子的计算构型做了比较 .利用B3LYP方法和不同的基组对这三种阳离子及其分子进行了自然布居分析计算 .用B3LYP方法对这三种阳离子 (自由基 )中的超精细结构进行了计算 ,对五氟代吡啶、2 ,6 二氟代吡啶和2 氟代吡啶分子的垂直电离势和绝热电离势进行了计算 ,与实验值符合得很好 相似文献
122.
123.
G. Z. Ruan S. Y. Wang Y. Yamamoto S. S. Zhu 《Journal of Optimization Theory and Applications》2004,123(2):409-429
In this paper, a model of a linear multilevel programming problem with dominated objective functions (LMPPD(l)) is proposed, where multiple reactions of the lower levels do not lead to any uncertainty in the upper-level decision making. Under the assumption that the constrained set is nonempty and bounded, a necessary optimality condition is obtained. Two types of geometric properties of the solution sets are studied. It is demonstrated that the feasible set of LMPPD(l) is neither necessarily composed of faces of the constrained set nor necessarily connected. These properties are different from the existing theoretical results for linear multilevel programming problems. 相似文献
124.
125.
New heuristics for over-constrained flight to gate assignments 总被引:1,自引:0,他引:1
We consider the over-constrained Airport Gate Assignment Problem where the number of flights exceed the number of gates available, and where the objectives are to minimize the number of ungated flights and the total walking distances. The problem is formulated as a binary quadratic programming problem. We design a greedy algorithm and use a Tabu Search meta-heuristic to solve the problem. The greedy algorithm minimizes ungated flights while we devise a new neighbourhood search technique, the Interval Exchange Move, which allows us flexibility in seeking good solutions, especially when flight schedules are dense in time. Experiments conducted give good results. 相似文献
126.
W Y Hung S Kucherenko N J Samsatli N Shah 《The Journal of the Operational Research Society》2004,55(8):801-813
In this paper, we present a new modelling approach for realistic supply chain simulation. The model provides an experimental environment for informed comparison between different supply chain policies. A basic simulation model for a generic node, from which a supply chain network can be built, has been developed using an object-oriented approach. This generic model allows the incorporation of the information and physical systems and decision-making policies used by each node. The object-oriented approach gives the flexibility in specifying the supply chain configuration and operation decisions, and policies. Stochastic simulations are achieved by applying Latin Supercube Sampling to the uncertain variables in descending order of importance, which reduces the number of simulations required. We also present a case study to show that the model is applicable to a real-life situation for dynamic stochastic studies. 相似文献
127.
In this paper, we study a problem central to crossdocking that aims to eliminate or minimize storage and order picking activity using JIT scheduling. The problem is modelled naturally as a machine scheduling problem. As the problem is NP-hard, and for real-time applications, we designed and implemented two heuristics. The first uses Squeaky Wheel Optimization embedded in a Genetic Algorithm and the second uses Linear Programming within a Genetic Algorithm. Both heuristics offer good solutions in experiments where comparisons are made with the CPLEX solver. 相似文献
128.
In 1983, a preconditioner was proposed [J. Comput. Phys. 49 (1983) 443] based on the Laplace operator for solving the discrete Helmholtz equation efficiently with CGNR. The preconditioner is especially effective for low wavenumber cases where the linear system is slightly indefinite. Laird [Preconditioned iterative solution of the 2D Helmholtz equation, First Year's Report, St. Hugh's College, Oxford, 2001] proposed a preconditioner where an extra term is added to the Laplace operator. This term is similar to the zeroth order term in the Helmholtz equation but with reversed sign. In this paper, both approaches are further generalized to a new class of preconditioners, the so-called “shifted Laplace” preconditioners of the form Δφ−k2φ with
. Numerical experiments for various wavenumbers indicate the effectiveness of the preconditioner. The preconditioner is evaluated in combination with GMRES, Bi-CGSTAB, and CGNR. 相似文献
129.
130.
Zhao Fang BAI Jin Chuan HOU 《数学学报(英文版)》2005,21(5):1167-1182
Let X be a (real or complex) Banach space with dimension greater than 2 and let B0(X) be the subspace of B(X) spanned by all nilpotent operators on X. We get a complete classification of surjective additive maps Ф on B0(X) which preserve nilpotent operators in both directions. In particular, if X is infinite-dimensional, we prove that Ф has the form either Ф(T) = cATA^-1 or Ф(T) = cAT'A^-1, where A is an invertible bounded linear or conjugate linear operator, c is a scalar, T' denotes the adjoint of T. As an application of these results, we show that every additive surjective map on B(X) preserving spectral radius has a similar form to the above with |c| = 1. 相似文献