Two body non-leptonic decaysB →Dπ with heavy quark and chiral symmetry

We have analysed the two body non-leptonic charmed-meson decays of heavyB meson based on the factorization assumption. The transition matrix elements and the corresponding decay widths are calculated in the heavy quark and chiral symmetry limit and the Isgur-Wise function present in the expression is determined by the wave function model of Aliet al. The results obtained are quite interesting and agree reasonably well with the experimental data.     

Eikonal Approximation to 5D Wave Equations and the 4D Space-Time Metric

We apply a method analogous to the eikonal approximation to the Maxwell wave equations in an inhomogeneous anisotropic medium and geodesic motion in a three dimensional Riemannian manifold, using a method which identifies the symplectic structure of the corresponding mechanics, to the five dimensional generalization of Maxwell theory required by the gauge invariance of Stueckelberg's covariant classical and quantum dynamics. In this way, we demonstrate, in the eikonal approximation, the existence of geodesic motion for the flow of mass in a four dimensional pseudo-Riemannian manifold. These results provide a foundation for the geometrical optics of the five dimensional radiation theory and establish a model in which there is mass flow along geodesics. We then discuss the interesting case of relativistic quantum theory in an anisotropic medium as well. In this case the eikonal approximation to the relativistic quantum mechanical current coincides with the geodesic flow governed by the pseudo-Riemannian metric obtained from the eikonal approximation to solutions of the Stueckelberg–Schrödinger equation. The locally symplectic structure which emerges is that of a generally covariant form of Stueckelberg's mechanics on this manifold.     

金纳米粒子光学性质中的尺寸和形状效应

纳米尺度的金属及半导体呈现出特殊的光学、电学及磁学性质,采用近年发展起来的离散偶极近似(DDA)的方法,我们分析了金纳米粒子的尺寸及形状对其光学性质的影响。粒子周围介质的影响在文中亦作了分析。计算结果显示,金纳米粒子的等离子体吸收带同时受到粒子尺寸和形状的影响,但来自形状的影响更为明显。与米氏理论及扩展的甘氏理论相比较,DDA方法在粒子尺寸不再远小于入射光波长的时候更准确,并能应用于任何形状的纳米粒子。理论计算与实验结果能较好的吻合。     

Ab-initio simulation of elastic constants for some ceramic materials

Athermal elasticity for some ceramic materials (α-Al₂O₃, SiC (α and β phases), TiO₂ (rutile and anatase), hexagonal AlN and TiB₂, cubic BN and CaF₂, and monoclinic ZrO₂) have been investigated via density functional theory. Energy-volume equation-of-state computations to obtain the zero pressure equilibrium volume and bulk modulus as well as computations of the full elastic constant tensor of these ceramics at the experimental zero pressure volume have been performed. The present results for the single crystal elasticity are in good agreement with experiments both for the aggregate properties (bulk and shear modulus) and the elastic anisotropy. In contrast, a considerable discrepancy for the zero pressure bulk modulus of some ceramics evaluated from the energy-volume fit to the computational zero pressure volume has been observed.     

一维粗糙面散射的射线追踪法研究

在考虑遮蔽效应的情况下,应用射线追踪法对一维导体和介质的高斯粗糙面的散射系数进行了研究,并分别计算了考虑一次反射和二次反射的散射系数。同时,利用蒙特卡罗法生成一维高斯粗糙面,计算了考虑一次、二次反射和遮蔽时不同均方根斜率粗糙面的平均散射系数。     

MgS和MgSe带隙的GW近似修正

应用基于密度泛函理论下的局域密度近似（DFT-LDA）方法研究了岩石矿结构的 MgS和MgSe的晶体结构和能带结构。本文得到稳定结构的晶格常数与已知实验数据相吻合,MgS和MgSe都是间接带隙半导体且带隙值分别为2.74 eV和1.70 eV。尽管本文利用LDA计算的带隙值与之前的理论值很接近,但是局域密度近似常常低估带隙值。因此应用准粒子GW（G是格林函数,W是库伦屏蔽相互作用）近似 对MgS和MgSe的带隙值进行了修正,其结果分别为4.15eV和2.74 eV。GW近似的结果应该是合适的值。     

基于修正等效介质理论的微纳深沟槽结构反射率快速算法研究

利用等效介质理论和严格耦合波理论研究比较微纳米级高深宽比深沟槽结构的红外反射谱,提出一种对等效折射率加入色散修正项的深沟槽结构反射率快速算法. 通过超越色散方程分析和大量计算发现,加入的等效折射率色散修正项与波长的平方成反比,并且与深沟槽结构的材料、周期和占空比有关. 这种新的计算方法可以非常精确地获得高深宽比深沟槽结构的反射率,而且明显提高了运算速度,在复杂深沟槽结构基于模型的红外反射谱测量中具有重要的应用价值,可以应用于微电子和微机电系统制造过程中高深宽比微纳深沟槽结构刻蚀进度的在线实时监测. 关键词： 深沟槽结构 严格耦合波理论 等效介质理论 反射率     

O3+与H2碰撞中非解离电荷转移过程的全量子计算

应用全量子的分子轨道强耦合方法,研究了基态的O³⁺(2s²2p ²P)与氢分子碰撞的非解离电荷转移过程,计算了不同方位角(25°,45°,89°),能量分别为100,500,1000和5000eV/u时的单电子俘获的振动分辨的态选择截面及相应的微分截面.分子轨道强耦合计算中采用了自旋耦合价带理论计算的三原子分子势能面和径向耦合矩阵元.对氢分子的自身转动,采用无限阶的冲量近似方法;对体系的电子运动同H₂或H^{+< 关键词： 非解离电荷转移过程 全量子的分子轨道强耦合方法 无限阶冲量近似 振动冲量近似国家自然科学基金(批准号：10604011 10574020)和国家高技术研究发展计划(863)惯性约束聚变领域资助的课题.}     

Bridge density functional approximation for non-uniform hard core repulsive Yukawa fluid

In this work, a bridge density functional approximation （BDFA） （J. Chem. Phys. 112, 8079 （2000）） for a nonuniform hard-sphere fluid is extended to a non-uniform hard-core repulsive Yukawa （HCRY） fluid. It is found that the choice of a bulk bridge functional approximation is crucial for both a uniform HCRY fluid and a non-uniform HCRY fluid. A new bridge functional approximation is proposed, which can accurately predict the radial distribution function of the bulk HCRY fluid. With the new bridge functional approximation and its associated bulk second order direct correlation function as input, the BDFA can be used to well calculate the density profile of the HCRY fluid subjected to the influence of varying external fields, and the theoretical predictions are in good agreement with the corresponding simulation data. The calculated results indicate that the present BDFA captures quantitatively the phenomena such as the coexistence of solid-like high density phase and low density gas phase, and the adsorption properties of the HCRY fluid, which qualitatively differ from those of the fluids combining both hard-core repulsion and an attractive tail.     

Brownian Approximation and Monte Carlo Simulation of the Non-Cutoff Kac Equation

The non-cutoff Boltzmann equation can be simulated using the DSMC method, by a truncation of the collision term. However, even for computing stationary solutions this may be very time consuming, in particular in situations far from equilibrium. By adding an appropriate diffusion, to the DSMC-method, the rate of convergence when the truncation is removed, may be greatly improved. We illustrate the technique on a toy model, the Kac equation, as well as on the full Boltzmann equation in a special case.