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41.
42.
P. C. Chen 《中国化学会会志》1995,42(5):755-760
Three ab initio calculations (HF/6-3IG, HF/6-3IG*, and HF/6-3IG**) on 2,4,6-trinitrotoluene were made, The results compare well with xray data, except dihedral angles of NO2 relative to the plane of the benzene ring. The deviations are attributed to packing forces and steric effects in the crystal. The most stable structure was a torsional angle 10° of the methyl top with the benzene ring, unlike toluene. The rotational barriers of the methyl top and the 4-nitro group are small. Hydrogen bonding, dipole moments and total atomic charges arc calculated. 相似文献
43.
Hans C. Fogedby 《Journal of statistical physics》1992,69(1-2):411-425
We elaborate in some detail on a new phase space approach to complexity, due to Y.-C. Zhang. We show in particular that the connection between maximal complexity and power law noise or correlations can be derived from a simple variational principle. For a 1D signal we find 1/f noise, in accordance with Zhang. 相似文献
44.
45.
Duan-zhi ZHANG School of Mathematical Sciences Peking University Beijing China 《中国科学A辑(英文版)》2007,50(6):761-772
In this paper, we study the Maslov-type index theory for linear Hamiltonian systems with brake orbits boundary value conditions and its applications to the existence of multiple brake orbits of nonlinear Hamiltonian systems. 相似文献
46.
激光标线的原理和实验 总被引:1,自引:1,他引:0
根据几何光学知识分析了激光标线原理.理论和实验表明:激光标线长度与激光光束形状、光学元件形状及材料折射率有关.并讨论了激光标线向两侧扩展的原因. 相似文献
47.
In a previous paper we gave a new formulation and derived the Euler equations and other necessary conditions to solve strong, pathwise, stochastic variational problems with trajectories driven by Brownian motion. Thus, unlike current methods which minimize the control over deterministic functionals (the expected value), we find the control which gives the critical point solution of random functionals of a Brownian path and then, if we choose, find the expected value.This increase in information is balanced by the fact that our methods are anticipative while current methods are not. However, our methods are more directly connected to the theory and meaningful examples of deterministic variational theory and provide better means of solution for free and constrained problems. In addition, examples indicate that there are methods to obtain nonanticipative solutions from our equations although the anticipative optimal cost function has smaller expected value.In this paper we give new, efficient numerical methods to find the solution of these problems in the quadratic case. Of interest is that our numerical solution has a maximal, a priori, pointwise error of O(h3/2) where h is the node size. We believe our results are unique for any theory of stochastic control and that our methods of proof involve new and sophisticated ideas for strong solutions which extend previous deterministic results by the first author where the error was O(h2).We note that, although our solutions are given in terms of stochastic differential equations, we are not using the now standard numerical methods for stochastic differential equations. Instead we find an approximation to the critical point solution of the variational problem using relations derived from setting to zero the directional derivative of the cost functional in the direction of simple test functions.Our results are even more significant than they first appear because we can reformulate stochastic control problems or constrained calculus of variations problems in the unconstrained, stochastic calculus of variations formulation of this paper. This will allow us to find efficient and accurate numerical solutions for general constrained, stochastic optimization problems. This is not yet being done, even in the deterministic case, except by the first author. 相似文献
48.
A systematic study of the upper semicontinuity and the lower semicontinuity of the solution map in parametric affine variational
inequalities is given in this paper. Several examples are constructed to analyze the results.
This work was supported by Korea Research Foundation Grant (KRF 2001-015-DP0049), the APEC Postdoctoral Fellowships Program,
and the KOSEF Brain Pool Program. 相似文献
49.
We propose general variational inclusion problems which are slightly different from corresponding problems considered in several recent papers in the literature and show that they are advantageous. Sufficient conditions for the solution existence are established. As applications we derive consequences for several special cases of variational inclusion problems, quasioptimization problems, equilibrium problems and implicit variational inequalities and show that they improve the results of some recent existing papers. 相似文献
50.
X-ray reflectivity (XRR), X-ray fluorescence (XRF) and small angle X-ray scattering (SAXS) techniques are used to the monitoring of Cu/porous low κ processes, which are developed for the next generation (≤65 nm) integrated circuits. Sensitivity of XRR and XRF is sufficient to detect drifts of the copper barrier layer, copper seed layer and Cu CMP (chemical-mechanical polishing) processes. Their metrology key parameters comply with production requirements. SAXS allows determining the pore structure of low κ films: average pore size and pore size distribution. 相似文献