Monte Carlo Hamiltonian: Linear Potentials

We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method,in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. Weconsider two quantum mechanical models: a symmetric one V(x) = |x|/2; and an asymmetric one V(x) = ∞, forx ＜ 0 and V(x) = x, for x ≥ 0. The results for the spectrum, wave functions and thermodynamical observables are inagreement with the analytical or Runge-Kutta calculations.     

声表面波对GaAs(110)量子阱发光特性的调制

结合声表面波和光致发光谱在低温(15K)下对非故意掺杂的GaAs(110)量子阱结构的发光特性进行了研究.实验结果表明，由于声表面波的作用GaAs(110)量子阱的发光强度减弱,并且其对应的重空穴能级出现了分裂的现象，当施加的声波强度P_rf达到20dBm时，能级分裂ΔE达到了10meV.进一步讨论了声表面波对GaAs(110)量子阱圆偏振光自旋注入的影响. 关键词： 发光 GaAs量子阱 声表面波 自旋极化     

Phonon–replica transitions in InGaN/GaN quantum well structures

A side-bump feature in a photoluminescence (PL) spectrum of an InGaN compound was widely observed. With reasonable fitting to PL spectra with three Gaussian distributions, the temperature variations of the peak positions, integrated PL intensities, and peak widths of the main and first side peaks of three InGaN/GaN multiple quantum well samples with different nominal indium contents are shown and interpreted. The existence of the side peaks is attributed to phonon–replica transitions. The variations of the peak position separations and the decreasing trends of the first side peak widths beyond certain temperatures in those samples were explained with the requirement of phonon momentum condition for phonon–replica transitions. In the sample with 25% nominal indium content, the phonon–replica transition could become stronger than the direct transition of localized states.     

Coulomb blockade in molecular quantum dots

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

紧矩阵量子群G的余表示与其对偶量子群(A)的关系

设 G=（A,△）为紧矩阵量子群,G为A的所有有限维光滑的、不可约余表示等价类的集合.本文通过（A,△）的一个余表示Vo构造了两个相互配对的集合,利用Hilbert C＊-模的理论证明它们分别为A和Baaj与Skandalis构造的量子群A,并且证明了对任意的α∈G,在A中都对应一个有限维投影算子Pα,满足 dim（α）=dim（pα）.     

教学研究:介绍量子力学几个基本概念——兼答《关于量子几何相位的评注》中的几个主要问题

介绍了量子绝热定理的物理含义及成立的条件，认为有关主要献（Aharonov-Anandan,Bohm，孙昌璞等）的表述是正确的，而《关于量子几何相位的评注》^[1]（以下简称《评注》）相应的表述不完全正确。在此基础上，认为这些献和教材（R.Shankar)得出的涉及Berry绝热相位的一些论述（不含Berry绝热相因子的瞬时能量本征态不满足含时Schroedinger方程等）也是正确的，而《评注》的论述与此相反。《评注》认为只有γn(C)才是Berry相位。本作则倾向于把γn（t）叫做Berry绝热相位，而把γn（C）=γn（T）-γn（0）叫做几何相位（geometric phase)^[2]。     

Quantum Cosmology in CGBD Theory

We apply the theory developed in quantum cosmology to a model of charged generalized Brans–Dicke gravity. This is a quantum model of gravitation interacting with a charged Brans–Dicke type scalar field which is considered in the Pauli frame. The Wheeler–DeWitt equation describing the evolution of the quantum Universe is solved in the semiclassical approximation by applying the WKB approximation. The wave function of the Universe is also obtained by applying both the Vilenkin-like and the Hartle–Hawking-like boundary conditions. We then make predictions from the wave functions and infer that the Vilenkin's boundary condition is more reasonable in the Brans–Dicke gravity models leading a large vacuum energy density at the beginning of the inflation.     

Climbing Mount Scalable: Physical Resource Requirements for a Scalable Quantum Computer

The primary resource for quantum computation is Hilbert-space dimension. Whereas Hilbert space itself is an abstract construction, the number of dimensions available to a system is a physical quantity that requires physical resources. Avoiding a demand for an exponential amount of these resources places a fundamental constraint on the systems that are suitable for scalable quantum computation. To be scalable, the effective number of degrees of freedom in the computer must grow nearly linearly with the number of qubits in an equivalent qubit-based quantum computer.     

一种区间数的因子分析技术及其在证券市场中的应用

传统的因子分析技术能够有效地对高维变量空间进行降维处理,但它对于样本空间却缺乏行之有效的降维效果.为了解决这一问题,一种针对大量样本数据、新的因子分析技术———区间数因子分析技术(intervaldatafactoranalysis,IFA)被提出并得到了迅速的发展。IFA方法对传统的数据概念做了本质性的扩张,运用'数据打包'的理念,对海量原始数据在不破坏其原有内在逻辑关系的前提下,可以进行变量和样本点维度的双重降维。本文详细阐述了区间数因子分析技术的原理,并以中国股票市场为案例研究背景,结果表明IFA分析技术对大规模多维数据系统做综合简化是十分有效的。