Br+CH3S(O)CH3反应机理的直接动力学研究

采用直接动力学的方法，对多通道反应体系Br＋CH3S（O）CH3进行了理论研究．在BH＆H-LYP／6-311G（2d，2p）水平下获得了优化几何构型、频率及最小能量路径（MEP），能量信息的进一步确认在MC-QCISD（单点）水平下完成．利用正则变分过渡态理论，结合小曲率隧道效应校正（CVT／SCT）方法计算了该反应的两个可行的反应通道在200K～2000K温度范围内的速率常数．在整个反应区间内，生成HBr的反应通道与生成CHa的反应通道存在着竞争，前者是主反应通道，后者是次反应通道．变分效应和小曲率隧道效应对反应速率常数的计算影响都很小．理论计算得到的两个反应通道的反应速率常数与实验值符合得很好．     

Theoretical prediction on vibrational spectra of [Ar…Ar-H]~+

As a special substance between isolated molecules and condensed phase, clusters have drawn more and more attention by theoreticians and experimentalists. The protonated rare gas cluster is one kind of simplest clusters, which can be looked on as the simplest solution composed of the simplest solute, proton, and the simplest solvent, rare gas. The study on such a system can help us to know more about the complex condensed matter. However, the information for the molecular properties of protonat…     

Voltage-Height Spectroscopy in the <Emphasis Type="Italic">Ex Situ</Emphasis> Configuration of a Scanning Tunneling Microscope

Basic regularities of electrochemical processes in the gap of an ex situ scanning tunneling microscope in conditions of condensation of air moisture at the sample surface are considered on a qualitative level. A layer of condensed moisture is viewed as an electrolyte in a two-electrode cell. The depolarizers present in this layer may experience electrochemical conversions on the tip and in an area of the sample surface near the tip. As a result, the recorded “tunneling” current includes electrochemical constituents. Depending on the electrochemical processes in the gap, various dependences of the tip-sample distance on the current and applied voltage can be expected. For preliminary diagnostics of processes in the gap it is suggested to use voltage-height spectra, whose shape and characteristic heights are sensitive to the nature and location of redox active species. Experimental data for various films on conducting supports (quasi-two-dimensional adsorbed layers of hemin and peroxidase, electrodeposited nonstoichiometric tungsten oxides, doped tin dioxide, solid electrolyte with ionic conduction) are presented as an examples.__________Translated from Elektrokhimiya, Vol. 41, No. 5, 2005, pp. 583–595.Original Russian Text Copyright © 2005 by Yusipovich, Vassiliev.     

对Reissner-Nordstrm-anti-de Sitter黑洞Hawking隧穿辐射的研究

在考虑粒子间的自引力相互作用后,首先采用Parikh-Wilczek的半经典隧穿方法对带电粒子与不带电粒子在Reissner-Nordstrm-anti-de Sitter黑洞视界处的隧穿辐射特征进行了研究.其次,推广复路径方法对该黑洞的辐射谱进行研究.两种方法所得的结果都支持Parikh-Wilczek的观点,即黑洞的隧穿率Bekenstein-Hawking熵变有关,真实的辐射谱不是纯热谱.     

Nonlinear tunneling of optical soliton in 3 coupled NLS equation with symbolic computation

We investigated the soliton solution for N$N$ coupled nonlinear Schrödinger (CNLS) equations. These equations are coupled due to the cross-phase-modulation (CPM). Lax pair of this system is obtained via the Ablowitz–Kaup–Newell–Segur (AKNS) scheme and the corresponding Darboux transformation is constructed to derive the soliton solution. One and two soliton solutions are generated. Using two soliton solutions of 3 CNLS equation, nonlinear tunneling of soliton for both with and without exponential background has been discussed. Finally cascade compression of optical soliton through multi-nonlinear barrier has been discussed. The obtained results may have promising applications in all-optical devices based on optical solitons, study of soliton propagation in birefringence fiber systems and optical soliton with distributed dispersion and nonlinearity management.     

Fermions tunneling from the Horowitz-Strominger Dilaton black hole

Based on the work of Kerner and Mann, fermions tunneling from the Horowitz-Strominger Dilaton black hole on the membrane is studied. Owing to the coupling among electromagnetic field, matter field and gravity field, the Dirac equation of charged particles is introduced, and according to that, the expected emission temperature is obtained. After the self-gravitational interaction is considered, it is found that the tunneling rate of fermions also satisfies the underlying Unitary theory as the case of scalar particles. Supported by the Natural Science Foundation of Sichuan Education Office (Grant No. 07ZC039)     

Correlations in photon-numbers and integrated intensities in parametric processes involving three optical fields

Two strongly-pumped parametric interactions are simultaneously realized in a single nonlinear crystal in order to generate three strongly correlated optical fields. By combining together the outputs of two of the three detectors measuring intensities of the generated fields, we obtain the joint photocount statistics between the single field and the sum of the other two. We apply a microscopic quantum theory developed earlier to determine the joint photon-number distribution and the joint quasi-distributions of integrated intensities and prove nonclassical nature of the three-mode state. Finally, by performing a conditional measurement on the single field, we obtain a state endowed with a sub-Poissonian statistics, as testified by the analysis of the conditional Fano factor. The role of quantum detection efficiencies in this conditional state-preparation method is discussed in detail.     

双势垒磁性隧道结中量子阱共振隧穿效应的第一性原理理论

磁性隧道结材料中自旋相关的量子阱态所导致的共振隧穿现象具有很重要的研究和应用价值，文章介绍了最近在Fe（001）／MgO／Fe／MgO／Fe双势垒磁性隧道结中存在的量子阱共振隧穿效应的理论研究工作，通过量子阱态的第一性原理的计算以及结合对中间Fe薄膜孤岛结构所导致Coulomb阻塞效应的分析，证实了最近Nozaki等人（Nozaki T et al．Phys．Rev．Lett．，2006，96：027208）实验中得到的振荡效应确实来源于中间Fe层多数自旋电子在Г点处形成的△1对称性的量子阱态．Coulomb阻塞效应的存在正是导致实验中低温下量子阱共振隧穿效应不够明显的主要原因．