双轴晶体主平面上倍频的相位匹配参量

根据折射率椭球方程及双光轴晶体中光波的传播与偏振特性，分析双轴晶体在主平面内激光倍频相位匹配的特性与方法，导出光波在主平面上传播时倍频的相位失配关系；给出双轴晶体中容许相位匹配倍频的相位匹配角及混频的有效非线性系数deff的表达式。利用可相位匹配的类型、相位匹配角公式和有效非线性系数deff表达式的表，容易对任意一具体晶体在一给定波长求出实际能实现相位匹配的类型或偏振组合，算出相位匹配角，比较不同的相位匹配类型或偏振组合的有效非线性系数，选择最佳的相位匹配类型与方向。从相位失配关系可以计算晶体主平面内倍频的接收角、接收光谱宽度等特性参量。     

计算有机化合物脂水分配系数的新方法

A new method is presented for the calculation of octanol/water partition coefficients. On the basis of summation of atomic contributions, our algorithm, namely; XLOGP, also incorporate correction factors into the calculation. Multivariate regression analysis was performed on a training database of 1831 organic compounds with diverse structures to give the final model. The correlation coefficients for the whole set fitting is 0.968 and the standard deviation is 0.37. The result shows that our model is accurate enough for logP estimation in QSAR studies. Compared to other similar approaches, our method gives better results and is more convenient to use.     

利用双参变形自旋相干态计算量子代数SU(2)q,s的Clebsch-Gordan系数

利用量子代数SU(2)_q,s的双参数变形自旋相干态,通过引入量子代数SU(2)_q,s的不可约表示张量积空间的Bargmann表示,导出了这一表示中不可约表示基底、双参数变形自旋相干态以及算符的表达式.最后导出了量子代数SU(2)_q,s在双参数变形自旋相干态下的Clebsch－Gordan系数.     

快速计算阵列波导光栅波导耦合系数的修正重叠积分方法

提出了一种修正的重叠积分方法用以计算阵列波导光栅(AWG)波分复用器件中光从自由传输区域到阵列波导的耦合系数,并和光束传播法(BPM)数值方法计算得到的结果做了比较通过比较分析,得出结论:当波导中心距不是太小时,用修正重叠积分这一快速方法是合适的.     

两能级原子在激光衰波场中的共振反射

在共振情况下求解两能级原子在激光衰波场中的薛定谔方程，得到了基态原子反射率Ｒｇ、激发态原子反射率Ｒｅ以及原子总反射率Ｒｔ的解析表达式。然后通过数值计算，详细讨论了Ｒｇ、Ｒｅ，Ｒｔ与拉比频率，原子垂直于靶面方向运动的动能的依赖关系，得到一些有意义的结果。     

中心集体流对带电粒子关联函数的影响

讨论了中心集体流对带电粒子关联函数的影响,采用蒙特卡罗方法研究了热源发射出的单粒子能谱与双粒子关联谱受中心集体流的影响. 利用QMD模型计算了100MeV/u的Ni+Ni系统在b=0fm条件下的双质子关联函数. 在计算中发展了一种交换粒子计算方法并证实了在100MeV/u Ni+Ni的中心碰撞中存在中心集体流. 计算结果表明,在中重系统中关联函数对中心集体流是灵敏的,为在100MeV/u以上能区研究中重系统中心碰撞形成的中心集体流提供了一种可行的方法.     

Study on Pair Correlation Energies of Isoelectronic Systems F~-,HF and H_2F~+

IntroductionAsawell knownfact ,thecalculationofelectroncor relationenergyisabottleneckprobleminthecalculationsofmolecularpropertiesandchemicalreactionsinquantumchemistry .1Ithasattractedgreatattentionoftheoreticalchemists.NumerousdifferentmethodshavebeenusedtocalculatethecorrelationenergysinceL wdin2 givethedef initionofelectroncorrelationin 195 9.In 196 0s ,Sinanoˇglu3,4 definedtheexactelectronpaircorrelationen ergyanddevelopedmany electrontheoryofatomsandmoleculesinwhichthetotalcorrelation…     

Deuterium NMR Studies on the Orientational Order Generated in Strained Rubbers

The present paper deals with the induced orientational order of the probe molecules dissolved in the uniaxially strained rubbers measured by using deuterium NMR. The distinctive dependence of the quadrupolar splitting on the swelling, elongation and crosslinking density was observed. The orientational order arising from the correlation between chain segments decreases with the increase of the numbers of both links between junctions and solvent molecules around segments.     

Monotonicity of input-output mappings in inverse coefficient and source problems for parabolic equations

This article presents a mathematical analysis of input-output mappings in inverse coefficient and source problems for the linear parabolic equation ut=(kx(x)ux)+F(x,t), (x,t)∈ΩT:=(0,1)×(0,T]. The most experimentally feasible boundary measured data, the Neumann output (flux) data f(t):=−k(0)ux(0,t), is used at the boundary x=0. For each inverse problems structure of the input-output mappings is analyzed based on maximum principle and corresponding adjoint problems. Derived integral identities between the solutions of forward problems and corresponding adjoint problems, permit one to prove the monotonicity and invertibility of the input-output mappings. Some numerical applications are presented.