分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

纳米晶软磁合金中的结构对技术磁性的影响——Ⅱ.磁弹耦合作用

对磁弹耦合在决定纳米晶软磁合金宏观磁性中的作用进行了探讨,高场磁化规律以及正电子湮没测量表明:对Fe_73.5Cu₁Nb₃Si_13.5B₉合金,准位错偶极子造成的应力场对畴壁的钉扎效应是造成纳米晶软磁合金矫顽力的重要原因;结构缺陷造成的应力场与磁致伸缩的耦合作用对纳米晶软磁性能有重要的影响.在结构各向异性和磁弹耦合能共同作用下可解释纳米晶合金表现出最佳软磁性能.     

准粒子注入下超导膜能隙变化的一些计算

利用 Schn-Tremblay 理论计算了 Pb、Sn 超导薄膜在注入准粒子且注入电压很小(ev<2△(?))时的能隙微小增加的效应.同时,把此理论扩展到 ev>>2△_i 的大电压情况,计算出能隙明显减小及超导-正常混合态的结果.     

Evaluation of Coulomb Energy Difference for Light Mirror Nuclei Using Slater—Type Orbitals

Behavior of the Coulomb energy difference for light nuclei is explained in terms of the different values of the average Coulomb interaction between two particles.Coulomb energy difference according to shell model of light mirror nuclei in the Coulomb and exchange integrals in the formula can be explained with exponential-type wavefunctions.In this study,using the one-center expansion of exponential-type wavefunctions in terms of Slater-type orbitals with the same center,we derived formula for Coulomb energy difference of light mirror nuclei.     

准Λ型四能级系统中的超窄谱线的研究

在一般Λ型三能级模型的基础上提出准Λ型四能级系统,并对准Λ型四能级模型的共振荧光谱作了详尽的研究.从上能级向两边下能级辐射的自发辐射谱中产生了三个超窄谱线,且在很大参数范围内光谱具有这一特性.三个超窄谱线的产生是和两个相干驱动场的Rabi频率密切相关,在较大的Rabi频率作用下谱线会变得更窄,而当只有一个驱动场作用时是不会产生谱线变窄效应的.能级间的碰撞弛豫和非相干激发严重地破坏了谱线变窄.这种超窄谱线效应是多通道量子干涉的结果 关键词： 准Λ型四能级系统 超窄谱线 多通道量子干涉     

相对论平均场理论对196Pb超形变态的研究

在形变约束的相对论平均场理论框架下, 用TMA, PK1, NL3和NL-SH相互作用对¹⁹⁶Pb的超形变态进行了系统研究. 给出了¹⁹⁶Pb的位能曲线、基态和超形变态的形变以及超形变态退激的激发能. ¹⁹⁶Pb的基态为β₂≈－0.15的扁椭球, 超形变激发态为β₂≈0.60的长椭球, 激发能在4－5MeV之间, 势阱深度在1－2.2MeV之间. 这些结果与最近观测的实验数据符合得非常好, 表明相对论平均场理论能够较好地描述¹⁹⁶Pb超形变转动带带首的能量.     

Teleportation of an Arbitrary Multipartite GHZ-Class State by One EPR Pair

We present a scheme for perfectly teleporting an arbitrary and unknown N-particle GHZ-class state from a sender to a receiver. We just need one quantum channel composed of two or three particles in the maximally entangled state. The sender performs one Bell-state measurement on two of her particles and N - 1 Hadamard operations and N - 1 yon Neumann measurements on the rest N - 1 particles. The receiver adopts one corresponding unitary transformation on his particles shared with the sender. After that, the receiver can obtain the original N-particle GHZ-class state by introducing N - 1 ancillary particles and carrying out N - 1 controlled-NOT operations. We also generalize the scheme to the case of controlled teleportation.     

Activation and Afterheat Calculation Analysis for TBM

Safety considerations of TBM are part of the design process to ensure that the TBM do not adversely affect the safety of ITER. So accurate calculations of all radioactivity and potential harmfulness are very important for designing of device, selecting of blanket and shield material, analyzing of the safety and environment, disposing of nuclear waste and operation of the reactor.     

Bayesian estimation of keyword confidence in Chinese Continuous speech recognition

In a syllable-based speaker-independent Chinese continuous speech recognition system based on classical Hidden Markov Model(HMM),a Bayesian approach of keyword confidence estimation is studied,which utilizes both acoustic layer scores and syllable-based statistical language model(LM) score.The Maximum a posteriori(MAP) confidence measure is proposed,and the forward-backward algorithm calculating the MAP confidence scores is deduced.The performance of the MAP confidence measure is evaluated in keyword spotting application and the experiment results show that the MAP confidence scores provide high discriminability for keyword candidates.Furthermore,the MAP confidence measure can be applied to various speech recognition applications.