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91.
首先用BFW势函数形式拟合了在CCSD(T)/aug-cc-pVQZ理论水平下计算的He-HCl相互作用能数据,获得了He原子与HCl分子相互作用的各向异性势;然后采用CC近似方法计算了He-HCl碰撞体系的微分散射截面和分波散射截面,并总结了分波散射截面的变化规律.结果表明,拟合势不但表达形式简洁,而且较好地描述了He-HCl系统相互作用的各向异性特征;利用碰撞体系分子间势的量子化学从头计算结果,可解决势能参数难以确定的问题.对进一步研究原子与分子碰撞机理有一定参考价值.
关键词:
各向异性势
势能参数
密耦近似
分波散射截面 相似文献
92.
Qingfeng Zhang Shanjia Xu 《International Journal of Infrared and Millimeter Waves》2006,27(11):1539-1552
A novel uniplanar 2-D composite right/left-handed transmission line (CRLH-TL) structure is proposed based on a general transmission
line theory and the way to increase the relative operating bandwidth in the left-handed (LH) region and lower the LH operating
frequency is illustrated. In addition, a new method to extract parameters and calculate the Bloch impedance of the structure
is presented. Numerical results of the dispersion as well as the extracted parameters are given, which are calculated based
on full-wave simulation. The present 2-D uniplanar CRLH-TL structure is applicable to 2-D left-handed materials in lower and
wider LH frequency range.
Supported by the National Natural Science Foundation of China (No. 60371010) (No. 60471037) (No. 63531020) 相似文献
93.
为实现书籍扫描图像的畸变自动校正,提出用多项式来描述各像素的理论灰度g(zi)与页面上对应点到扫描仪工作平面距离zi二者之间的关系。为确立该多项式,在畸变参数已知条件下扫描一幅图像,根据已知畸变参数求出zi,即可按最小二乘法原理由各像素灰度的实际值求出多项式的各个系数。实验证明,采用4阶多项式已能满足一般要求,并求出了各系数。对任意扫描图像,自动计算畸变参数的方法为:首先利用扫描图像上页边空白处各像素的灰度,对畸变参数进行估计,并求出zi的估计值;然后代入所确立的多项式,可求得g(zi);通过调整各畸变参数的估计值,直到g(zi)与gi最为接近,即得最佳畸变参数。用于图像校正实验,获得了较好的校正效果,最大误差由不校正时的41%下降到了6.9%。这使得无需用户测量并输入有关畸变参数即可进行自动校正。 相似文献
94.
Thomas Andreae 《Journal of Graph Theory》2002,39(4):222-229
For a graph A and a positive integer n, let nA denote the union of n disjoint copies of A; similarly, the union of ?0 disjoint copies of A is referred to as ?0A. It is shown that there exist (connected) graphs A and G such that nA is a minor of G for all n??, but ?0A is not a minor of G. This supplements previous examples showing that analogous statements are true if, instead of minors, isomorphic embeddings or topological minors are considered. The construction of A and G is based on the fact that there exist (infinite) graphs G1, G2,… such that Gi is not a minor of Gj for all i ≠ j. In contrast to previous examples concerning isomorphic embeddings and topological minors, the graphs A and G presented here are not locally finite. The following conjecture is suggested: for each locally finite connected graph A and each graph G, if nA is a minor of G for all n ? ?, then ?0A is a minor of G, too. If true, this would be a far‐reaching generalization of a classical result of R. Halin on families of disjoint one‐way infinite paths in graphs. © 2002 Wiley Periodicals, Inc. J Graph Theory 39: 222–229, 2002; DOI 10.1002/jgt.10016 相似文献
95.
Let D be a digraph. The competition-common enemy graph (CCE graph) of D has the same set of vertices as D and an edge between vertices u and v if and only if there are vertices w and x in D such that (w,u), (w,v), (u,x), and (v,x) are arcs of D. We call a graph a CCE graph if it is the CCE graph of some digraph. In this paper, we show that if the CCE graph of a doubly partial order does not contain C4 as an induced subgraph, it is an interval graph. We also show that any interval graph together with enough isolated vertices is the CCE graph of some doubly partial order. 相似文献
96.
本文根据极值分布理论,提出了一个由原始分布和尾分布组成的组合分布模型,研究了组合分布模型中原始分布和尾分布的确定方法,建立了组合分布模型参数估计的加权最优化模型,实例计算说明,组合分布较好地反映了风险变量极值事件的风险。 相似文献
97.
Solid solutions of CsCl-Br in five different concentrations were prepared in sealed quartz tubes by heating the mixture to
1123°K for 6–8 hr and quenching to room temperature. X-ray diffractograms were taken at eight different temperatures between
room temperature and 90°K for these solid solutions using the YPC50NM powder diffractometer and a continuous flow cryostat.
The observed lattice parameters for each sample at each temperature obtained from the powder diffractograms were then extrapolated
to give the true lattice parameters using the least square method with Nelson-Riley extrapolation scheme. The values of the
true lattice parameters at each concentration and at each temperature were tabulated and the results discussed. It is shown
that the lattice parameters vs temperature for some concentrations exhibit an anomalous behaviour.
Contribution No. 691 相似文献
98.
Mira Bozzini Licia Lenarduzzi Robert Schaback 《Advances in Computational Mathematics》2002,16(4):375-387
We present an adaptive method to extract shape-preserving information from a univariate data sample. The behavior of the signal is obtained by interpolating at adaptively selected few data points by a linear combination of multiquadrics with variable scaling parameters. On the theoretical side, we give a sufficient condition for existence of the scaled multiquadric interpolant. On the practical side, we give various examples to show the applicability of the method. 相似文献
99.
We prove that if T is a tournament of order n > 6 in which any 4-sub-tournament is hamiltonian or transitive, then T is reconstructible in the sense of Ulam. 相似文献
100.
Lingsheng Shi 《Journal of Graph Theory》2005,50(3):175-185
The Ramsey number R(G1,G2) of two graphs G1 and G2 is the least integer p so that either a graph G of order p contains a copy of G1 or its complement Gc contains a copy of G2. In 1973, Burr and Erd?s offered a total of $25 for settling the conjecture that there is a constant c = c(d) so that R(G,G)≤ c|V(G)| for all d‐degenerate graphs G, i.e., the Ramsey numbers grow linearly for d‐degenerate graphs. We show in this paper that the Ramsey numbers grow linearly for degenerate graphs versus some sparser graphs, arrangeable graphs, and crowns for example. This implies that the Ramsey numbers grow linearly for degenerate graphs versus graphs with bounded maximum degree, planar graphs, or graphs without containing any topological minor of a fixed clique, etc. © 2005 Wiley Periodicals, Inc. J Graph Theory 相似文献