Numerical study of charge ordering in NaxCoO2

A simple microscopic model of charge ordering in the Na_xCoO₂ system is presented. The model takes into account the interplane interactions between the ordered Na ions and d electrons from the CoO₂ layers as well as the nearest-neighbor intraplane Coulomb interactions between d electrons. It is shown that a driving force of charge ordering in the CoO₂ layers is the interplane interaction that alone is able to describe various types of inhomogeneous charge ordering (e.g., the striped phases) as well as to predict correctly the conducting properties of the system.     

A Monte Carlo method for high dimensional integration

Summary A new method for the numerical integration of very high dimensional functions is introduced and implemented based on the Metropolis' Monte Carlo algorithm. The logarithm of the high dimensional integral is reduced to a 1-dimensional integration of a certain statistical function with respect to a scale parameter over the range of the unit interval. The improvement in accuracy is found to be substantial comparing to the conventional crude Monte Carlo integration. Several numerical demonstrations are made, and variability of the estimates are shown.     

Angular momenta and eigenvectors of the weakly coupled T ⊗ t Jahn‐Teller system

The eigenvalues of the weakly coupled T ? t Jahn‐Teller problem are known for several decades, and the same holds also true for the eigenstates. These, however, are only given in the traditional position representation, which proves inconvenient if one attempts to extend the weak‐coupling treatment into the region of stronger coupling. Here the solution of the T ? t eigenvalue problem at weak coupling is derived in terms of creation and annihilation operators. This reformulation of the problem is nontrivial, since the algebraic form of the oscillator eigenvectors, being simultaneous angular‐momentum eigenstates, has been worked out only recently and is probably still widely unknown. The electronic and oscillator eigenstates are then coupled to form eigenvectors of the total angular momentum. Finally, in preparation for an extension of the weak‐coupling treatment, the action of the boson creation and annihilation operators on the oscillator eigenvectors is calculated, thus completing the algebraic approach to the weakly coupled T ? t system.     

A posteriori error estimators for the Stokes equations

Summary We present two a posteriori error estimators for the mini-element discretization of the Stokes equations. One is based on a suitable evaluation of the residual of the finite element solution. The other one is based on the solution of suitable local Stokes problems involving the residual of the finite element solution. Both estimators are globally upper and locally lower bounds for the error of the finite element discretization. Numerical examples show their efficiency both in estimating the error and in controlling an automatic, self-adaptive mesh-refinement process. The methods presented here can easily be generalized to the Navier-Stokes equations and to other discretization schemes.This work was accomplished at the Universität Heidelberg with the support of the Deutsche Forschungsgemeinschaft     

Extended non-abelian gauge symmetries in the classical WZNW model

Higher spin extensions of the non-Abelian gauge symmetries for the classical WZNW model are considered. Both linear and nonlinear realizations of the extended affine Kac-Moody algebra are obtained. It is a characteristic property of the WZNW model that it admits a higher spin linear realization of the extended affine Kac-Moody algebra which is equivalent to the corresponding higher spin nonlinear realization of the same algebra. However, in both cases, the higher spin Noether currents do not span an invariant space with respect to their generating transformations. Here, the current space is extended to an invariant space which allows us to gauge the symmetry.Supported by Bulgarian Foundation on Fundamental Research under contract Ph-318/93-95.     

橙皮素A的NMR研究

橙皮素A是从中药北沙参(Glehnia littoralis Fr. Schmidt ex Miquel)的正丁醇萃 取物中分离得到的一种8-O-4′-型异木脂素苷类化合物. 通过化学方法和波谱分析鉴 定了该 化合物的结构. 采用2D NMR技术对其NMR信号进行了全归属. DMSO-d₆代替CD₃OD作为溶剂，并利用重水交换，能准确读出偶合常数J_7,8值.      

利用莫尔条纹的准正弦特性的三维轮廓术

分析了两个矩形光栅迭合产生的莫尔条纹的光强分布特性，通过选择适当的光栅参数，可得到一个近似的正弦分划板，并把它用于三维面形测量中，实验结果表明，这种方法简单，易于自动处理，有广泛的实用价值。     

Neutron Scattering on Magnetic Materials Under Extreme Conditions

Many materials exhibit various magnetic phenomena as a function of magnetic field, temperature and/or pressure. Usually, bulk magnetic measurements provide first information on the magnetic state of the material by measuring their response on the applied magnetic field. However, it is necessary to investigate materials also on a microscopic scale. This is often done by means of neutron scattering. In this contribution we discuss basic ideas of this method and we report on few experimental results obtained with a split-pair coil 14.5 T superconducting magnet which can be combined with dilution stick offering temperatures as low as 30 mK and/or with a small clamped-type pressure cell which offers pressure up to 1.0 GPa.     

Deciding Frattini is NP-complete

We show that it is a NP-complete problem to decide whether a finite poset arises as the (Birkhoff) dual of the Frattini sublattice of some finite distributive lattice.This work was supported in part by Swiss NSF grant 20-32644.91.