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421.
Werner Kutzelnigg 《Theoretical chemistry accounts》1988,73(2-3):173-200
The Fermi-contact interaction (FCI) can easily be derived from 1st order perturbation theory applied to the non-relativistic wave equation for a spin-(1/2) particle of Lévy-Leblond, with the nuclear spin described by the field of an external magnetic dipole, and it results from the fact that the turn-over-rule for the operator
is only valid if the derivatives implicit in
are taken in the distribution sense. If one avoids to apply the turn-over-rule, the FCI is obtained without the need to introduce a -function. It is also shown that the formulation of a magnetic point dipole as the limit of an extended nucleus directly leads to the FCI. Traditional methods of the derivation of the FCI are analyzed in the light of this new interpretation. It is then explained why the perturbation expansions in powers of the magnetic moment of the nucleus necessarily diverges, but that the expression for the 1st order energy on which the concept of the FCI is based, can nevertheless be justified by means of the Hellmann-Feynman theorem with a correction term if singular wave functions are involved. Finally some comments on a theory beyond first order are made.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday 相似文献
422.
Victor Barba Julián Vázquez Rosa Santillan 《Journal of organometallic chemistry》2005,690(9):2351-2357
The syntheses of eight [4.3.0] heterobicyclic boronates containing a N → B coordinative bond are described. The monomeric compounds were prepared by reaction of arylboronic acids with a tridentate ligand having the ONO donor set of atoms. It was shown that substituents at the para-position of the B-phenyl moiety transmit electronic effects to the CN bond which in turn is polarized by formation of the N → B coordination bond. At the same time, related tridentate ligands were also reacted with 1,4-benzenediboronic acid in order to prepare benzene diboron complexes. The structure of this type of compounds was confirmed by X-ray analysis for one of the derivatives. 相似文献
423.
We propose a numerical procedure for the calculation of the electrostatic repulsion force between two identical, parallel surfaces immersed in anab electrolyte solution. These surfaces are coated with an ion-penetrable membrane carrying fixed charges. The amount of fixed charges is governed by the dissociation of the functional groups in the membrane phase. The effect of pH on the degree of dissociation of these functional groups is taken into account. The difficulty of extensive use of Jacobi elliptic function in the numerical treatment of Poisson-Boltzmann equation can be circumvented by resorting to the present algorithm. 相似文献
424.
Chatterjee J 《Advances in colloid and interface science》2002,99(2):163-179
Removal of oil drops from solid surfaces immersed in an aqueous medium is of interest in many applications. It has been shown that drop shape analysis can be used to predict conditions at which the stability limit of a lighter than water oil drop on a solid surface immersed in an aqueous bath is reached (Adv. Colloid Interface Sci. 98 (2002) 265). However the above analysis is restricted to cases where the contact angle made by the drop is below 90degrees and when the surface conditions result in a 'pinned' contact line. In this paper, it is shown that drop shape analysis can be used to predict the critical conditions at which drop stability limit is reached for drop contact angles of 90degrees and above, which is encountered with 'hydrophilic' surfaces. This critical condition can predict the occurrence of partial oil drop detachment, before complete removal due to 'roll-up', which occurs when the hydrophilic surface is adequately smooth which prevents 'pinning' of the contact line. The critical conditions at which partial drop detachment occurs can also be approximately predicted from simple force balances. It has been shown (Adv. Colloid Interface Sci. 98 (2002) 265) that for contact angles less than 90degrees, the critical limit based on shape analysis appears to resolve the differences that arise due to alternate expressions for capillary retention force. This paper shows that even for contact angles above 90degrees, the critical conditions predicted from the shape analysis resolves the differences in the predictions from the alternate force balances. Drop shape analysis used in this paper is based on the 'Arc-length' form of Young-Laplace or 'drop shape' equation, which is different from the 'Y vs X' form of the above equation that is used in Adv. Colloid Interface Sci. 98 (2002) 265. The above drop shape equation is solved by a fourth order Runge-Kutta technique and it is shown that for angles less than 90degrees, the two forms of the drop shape equation, predict almost identical values of the critical Eotvos number. This paper highlights the competing effects of interfacial tension lowering induced drop instability and 'roll-up', a term that is used to describe the retraction of the contact line of an oil drop on a surface, in being the primary c ause for drop detachment. 相似文献
425.
In this paper, we establish the discrete approximation of continuous-state nonlinear branching processes in Lévy random environments by using tightness and convergence sequence in infinite dimensional product space via stochastic differential equations. Taking α-stable branching as an example, the conditions which are given to discretize continuous-state nonlinear branching processes in Lévy random environments are verified. © 2022 Chinese Academy of Sciences. All rights reserved. 相似文献
426.
基于Lagrange原理和假设模态法建立了旋转输液管的动力学模型.通过降阶升维的方法求解系统的特征值问题,并分析了旋转输液管自由振动特性.得到了不同端部集中质量和转速下,系统特征值随流速升高的演变轨迹.揭示了临界流速随系统参数的变化规律.研究发现,内部流体的流动对旋转输液管动力学特性存在显著影响.在某些参数组合下,系统低阶模态能够形成不同形式的内共振关系.预示了旋转输液管模型蕴含丰富的动力学现象. 相似文献
427.
A High-Order Finite Difference Scheme for 3D Unsteady Convection Diffusion Reaction Equations北大核心CSCD 下载免费PDF全文
针对三维非稳态对流扩散反应方程,构造了一种高精度紧致有限差分格式,对空间的离散采用四阶紧致差分方法,对时间的离散采用Taylor级数展开和余项修正技术,所提格式在时间上的精度为二阶、在空间上的精度为四阶。利用Fourier稳定性分析法证明了该格式是无条件稳定的。最后给出数值算例验证了理论结果。 相似文献
428.
《Journal of Pure and Applied Algebra》2022,226(7):106936
Biquandles are algebraic objects with two binary operations whose axioms encode the generalized Reidemeister moves for virtual knots and links. These objects also provide set theoretic solutions of the well-known Yang-Baxter equation. The first half of this paper proposes some natural constructions of biquandles from groups and from their simpler counterparts, namely, quandles. We completely determine all words in the free group on two generators that give rise to (bi)quandle structures on all groups. We give some novel constructions of biquandles on unions and products of quandles, including what we refer as the holomorph biquandle of a quandle. These constructions give a wealth of solutions of the Yang-Baxter equation. We also show that for nice quandle coverings a biquandle structure on the base can be lifted to a biquandle structure on the covering. In the second half of the paper, we determine automorphism groups of these biquandles in terms of associated quandles showing elegant relationships between the symmetries of the underlying structures. 相似文献
429.
Hossein Fazli HongGuang Sun Juan J. Nieto 《Mathematical Methods in the Applied Sciences》2022,45(1):197-205
We consider the solvability of fractional differential equations involving the Riesz fractional derivative. Our approach basically relies on the reduction of the problem considered to the equivalent nonlinear mixed Volterra and Cauchy-type singular integral equation and on the theory of fractional calculus. By establishing a compactness property of the Riemann–Liouville fractional integral operator on Lebesgue spaces and using the well-known Krasnoselskii's fixed point theorem, an existence of at least one solution is gleaned. An example is finally included to show the applicability of the theory. 相似文献
430.
The authors study rotational hypersurfaces with constant Gauss-Kronecker curvature in Rn. They solve the ODE associated with the generating curve of such hypersurface using integral expressions and obtain several geometric properties of such hypersurfaces. In particular, they discover a class of non-compact rotational hypersurfaces with constant and negative Gauss-Kronecker curvature and finite volume, which can be seen as the higher-dimensional generalization of the pseudo-sphere. 相似文献