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41.
Some non-singlet quasi-instabilities (QIs) cases that arise in the calculation of NMR-J parameters are analyzed within response theory. The relationship between ‘very close to zero’ eigenvalues of the principal propagator and the rate of convergency for specific coupling pathways is shown by a power series implemented to calculate the principal propagator matrix. A natural criterion for the analysis of the stability problem emerges from that series. This is more general and accurate compared with previous proposals. Its relationship with π-type molecular orbitals is given. We present an alternative scheme to minimize the effects of non-singlet QIs in such a way that the NMR-J parameters become close to the best theoretical calculations for H2CX (X=CH2, NH and O). 相似文献
42.
Jaume Haro 《International Journal of Theoretical Physics》2003,42(12):2839-2846
We apply the formal W.K.B. method in the complex plane to the quantum field theory to obtain the Schwinger formula for spin and spinless particles; i.e., we obtain the probability that the vacuum state remains unchanged in presence of a constant electric field. Finally, from Schwinger formula we calculate the probability that n pairs are produced. 相似文献
43.
Huang H. X. Liang Z. A. Pardalos P. M. 《Journal of Optimization Theory and Applications》2004,120(1):53-71
A flow search approach is presented in this paper. In the approach, each iterative process involves a subproblem, whose variables are the stepsize parameters. Every feasible solution of the subproblem corresponds to some serial search stages, the stepsize parameters in different search stages may interact mutually, and their optimal values are determined by evaluating the total effect of the interaction. The main idea of the flow search approach is illustrated via the minimization of a convex quadratic function. Based on the flow search approach, some properties of the m-step linear conjugate gradient algorithm are analyzed and new bounds on its convergence rate are also presented. Theoretical and numerical results indicate that the new bounds are better than the well-known ones. 相似文献
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This article reports on research focused on the integration of a specific computer tool, the spreadsheet, into mathematics teaching. After presenting some important results obtained by research in this area, we revisit these in the light of an instrumental approach, which we perceive as essential to analyse the construction of mathematical meanings in spreadsheet environments and to understand better the questions of technological integration. Then, these theoretical elements are used in order to design an exploratory experiment with grade 7 pupils and analyse its results. 相似文献
47.
在Brueckner-Hartree-Fock理论框架内, 研究了同位旋非对称核物质中质子和中子单粒子势的动量相关性及其随同位旋非对称度的变化, 在此基础上计算了同位旋对称势, 并讨论了三体核力的影响. 结果表明同位旋对称势对于同位旋非对称度的依赖性很弱, 但对于动量和密度均有较强的依赖性. 当密度固定时, 同位旋对称势随动量增加而减小. 尽管三体核力对于质子和中子单粒子势的动量相关性有较大影响, 但对同位旋对称势的影响很小. 还与目前重离子碰撞输运理论模型中所使用的各种参数化的唯象对称势进行了比较. 相似文献
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High temperature oxidation of metals leads to residual stresses in the metal and in the oxide. In this work, we try to predict the evolution of the residual stresses in the growing oxides layers, during isothermal oxidation. The origin of these stresses is based on the microstructural model of Clarke, however, another justification is proposed, assuming a proportional dependence of the growth strain with the oxide layer thickness. Using the mechanics of thin layers, as well as the analysis proposed to describe the growth strain, a system of equations are deduced that predict the stresses evolution with oxidation time. Numerical analysis is performed, leading to a set of theoretical curves. 相似文献