空气/水界面水分子的取向和运动

对四种不同的实验构型下空气／水界面自由O-H键在3700cm~(-1)的和频振动光谱的分析表明,水分子在空气／水界面的取向运动只可能是在平衡位置附近有限角度之内的受限转动。界面水分子的自由O-H键取向距界面法线约33°,而取向分布或运动的宽度不超过15°。这一图像显著地不同于Wei等人(Phys. Rev. Lett.86,4799(2001))只通过单一的SFG实验构型所得出结论,即：空气／水界面的水分子在超快的振动弛豫时间内在很大的角度范围内运动。     

Rovibrational matrix elements of polarizability of HD, HT and DT molecules

Fresh computations of rovibrational matrix elements of the polarizability α[=(α_||+2α_⊥)/3] and the polarizability anisotropy γ(=α_||−α_⊥) of the heteronuclear isotopomers, HD, HT, and DT, of the hydrogen molecule are presented. The computations combine the most accurate polarizability functions α(R) and γ(R) (R being the bond distance) on the one hand and the most accurate adiabatic potential on the other. The calculations are extended to the product operators xα and xγ where x is the centre of mass to centre of charge separation in the heteronuclear species. The latter matrix elements are needed, additionally, for elucidating the absorption intensities of some of the zero-phonon rovibrational transitions peculiar to the heteronuclear species in the crystalline phase.     

Stationary entanglement between macroscopic mechanical oscillators

We show that the optomechanical coupling between an optical cavity mode and two movable cavity mirrors is able to entangle two different macroscopic oscillation modes of the mirrors. This continuous variable entanglement is maintained by the light bouncing between the mirrors and is robust against thermal noise. In fact, it could be experimentally demonstrated using present technology. Received 2 September 2002 / Received in final form 10 October 2002 Published online 7 January 2003     

Crystal and Molecular Structure of <Emphasis Type="Italic">Bis</Emphasis>(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) Tetrachlorocuprate(II) Sesquihydrate

The structure of bis-(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) tetrachlorocuprate (II) sesquihydrate, (C₁₃H₁₅N₂O)₂[CuCl₄]·1.5H₂O, was determined by single crystal X-ray diffraction. In contrast to the previously studied analogs, the compound contains crystallization water molecules.Original Russian Text Copyright © 2004 by K. K. Turgunov, B. Tashkhodzhaev, L. V. Molchanov, and Kh. M. Shakhidoyatov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 955–959, September–October, 2004.     

Environmental Effect of Macrocyclic Molecules on the Oxidation of Triethylamine by Ferricyanide Ion in Aqueous Solution

The effect of 18-crown-6 and kryptofix (2,2,1) on the oxidation of triethylamine byaqueous ferricyanide ion has been studied at pH 4, 7, and 9.The macrocycle retarded the normal oxidation process at all pH values,the effect depending on the macrocyclic ligand concentration Kryptofix (2,2,1) had a greater effect than 18-crown-6 at all pHvalues in this study. For 18-crown-6, retardation decreases in the order pH 9 > 4 > 7 while forkryptofix it follows the order pH 9 > 7 > 4.     

量子计算与超冷离子

通过介绍量子计算的基本概念和特点，并对比目前人们使用的计算机的计算方式，对于如何利用囚禁在离子阱中的超冷离子进行量子计算作了简要的叙述．     

About Rotational Transitions and Muon Transfer in Muonic Hydrogen–Helium Systems

Hyperfine Interactions - Rotational J=1→J=0 transitions in muonic molecule, (3Heμd) J ++, in [(3Heμd)++,2e]–D and [(3Heμd)++,e]+–D collisions are considered. The...     

Renormalization of the two-photon vacuum polarization and the self energy vacuum polarization for a tightly bound electron

The renormalization method of Bogoljubov-Parasiuk-Hepp-Zimmermann (BPHZ) is used in order to derive the renormalized energy shift due to the gauge invariant K?llén-Sabry diagram of the two-photon vacuum polarization (VPVP) as well as the self energy vacuum polarization S(VP)E beyond the Uehling approximation. It is outlined, that no outer renormalization is required for the two-photon vacuum polarization and that only the inner renormalization has to be accomplished. It is shown that the so-called nongauge invariant spurious term is absent for a wide class of vacuum polarization (VP) diagrams if one applies the widely used spherical expansion of bound and free-electron propagator. This simplifies significantly calculations in bound state quantum electrodynamics. As one result of our paper the use of the BPHZ-approach in bound state QED is established. Received 28 September 2001     

C++QED: an object-oriented framework for wave-function simulations of cavity QED systems

We present a framework for efficiently performing Monte Carlo wave-function simulations in cavity QED with moving particles. It relies heavily on the object-oriented programming paradigm as realised in C++, and is extensible and applicable for simulating open interacting qua ntum dynamics in general. The user is provided with a number of “elements”, e.g. pumped moving particles, pumped lossy cavity modes, and various interactions to compose complex interacting systems, which contain several particles moving in electromagnetic fields of various configurations, and perform wave-function simulations on such systems. A number of tools are provided to facilitate the implementation of new elements.