Lineshape of rotational spectrum of CO in (4)He droplets

In a recent experiment the rovibrational spectrum of CO isotopomers in superfluid helium-4 droplets was measured, and a Lorentzian lineshape with a large line width of 0.024 K (half width at half maximum) was observed [von Haeften et al., Phys. Rev. B 73, 054502 (2006)]. In the accompanying theoretical analysis it was concluded that the broadening mechanism may be homogeneous and due to coupling to collective droplet excitations (phonons). Here we generalize the lineshape analysis to account for the statistical distribution of droplet sizes present in nozzle expansion experiments. These calculations suggest an alternative explanation for the spectral broadening, namely, that the coupling to phonons can give rise to an inhomogeneous broadening as a result of averaging isolated rotation-phonon resonances over a broad cluster size distribution. This is seen to result in Lorentzian lineshapes, with a width and peak position that depend weakly on the size distribution, showing oscillatory behavior for the narrower size distributions. These oscillations decrease with droplet size and for large enough droplets ( approximately 10(4)) the line widths saturate at a value equal to the homogeneous line width calculated for the bulk limit.     

电感耦合等离子体原子发射光谱(ICP-AES)法测定铅锭中11种杂质元素

研究了用酸分解试样后不需分离基体直接用电感耦合等离子体原子发射光谱(ICP-AES)法测定铅锭中银、铜、铋、砷、锑、锡、锌、铁、镉、镍、铊11种杂质元素的方法。优化了样品前处理条件及仪器检测条件。方法的检出限为0.0012～0.0168μg/mL,回收率为89%～110%,RSD为2.3%～5.0%。方法简便快速,检出限低,精密度和准确度能满足铅锭中杂质元素的检测要求,具有较强的实用性和可操作性,可用于铅锭中杂质元素的测定。     

Path integral methods for rotating molecules in superfluids

We present a path integral Monte Carlo (PIMC) methodology for quantum simulation of molecular rotations in superfluid environments such as helium and para-hydrogen that combines the sampling of rotational degrees of freedom for a molecular impurity with multilevel Metropolis sampling of Bose permutation exchanges for the solvating species. We show how the present methodology can be applied to the evaluation of imaginary time rotational correlation functions of the molecular impurity, from which the effective rotational constants can be extracted. The combined rotation/permutation sampling approach allows for the first time explicit assessment of the effect of Bose permutations on molecular rotation dynamics, and the converse, i.e., the effect of molecular rotations on permutation exchanges and local superfluidity. We present detailed studies showing that the effect of Bose permutations in the solvating environment is more significant for the dynamics of heavy than light molecules in helium, and that Bose permutation exchanges are slightly enhanced locally by molecular rotation. Finally, the examples studied here reveal a size dependence of rotational excitations for molecules possessing a strongly anisotropic interaction with helium in 4HeN clusters between N approximately 20 and N approximately 10(3).     

OCS in para-hydrogen clusters: rotational dynamics and superfluidity

We present a detailed analysis of the rotational excitations of the linear OCS molecule solvated by a variable number of para-hydrogen molecules (9 < or = N < or = 17). The effective rotational constant extracted from the fit of the rotational energy levels decreases up to N = 13, indicating near-rigid coupling between OCS rotations and para-hydrogen motion. Departure from rigidity is instead seen for larger clusters with 14 < or = N < or = 17. Path-integral Monte Carlo calculations show that the N dependence of the effective rotational constant can be explained in terms of a partial superfluid response of para-hydrogen to rotations about an axis perpendicular to the OCS axis. Complete para-hydrogen superfluid response to rotations about the OCS axis is found for N > or = 10.     

共振辐射的理论研究——Holstein方程的解

解决介质中共振辐射的关键问题是求解Holstein方程。本文直接利用算符运算将方程积分,给出了激发态粒子集居数的含无限项的级数表达式。基于对这个级数高阶系数的极限行为的研究,成功地克服了无穷项求和的困难,整理出一个在任意给定精度下都只含有限项的解式,由它可以计算出任何时刻的结果。 关键词：     

Homogeneous Bose gas of dipolar molecules in the mean field approximation

We present a mean field analysis of the effects of molecular rotation on the excitation spectrum and stability of ultracold dipolar gases. For an unpolarized homogeneous gas interacting with a pure dipole-dipole interaction, we find that for the rotational state L = 1 the dipole-dipole interaction causes a splitting of the translation-rotation energy levels into a single M = 0 and a doubly degenerate M = ±1 excitation. For all other rotational states, the dipole-dipole interaction does not lead to coupling of translations and rotations and therefore has no effect on the rotational degeneracy of the excitations. The addition of arbitrarily small electric fields is found to introduce instabilities similar to those known to arise in the fully polarized dipolar gas. As in the case of a fully polarized gas, addition of a large enough short range repulsive potential is seen to stabilize the system, with the critical value of the repulsive interaction required for stabilization being larger when rotations are included.     

壳聚糖膜固定生物活性短肽RGDS的研究

为改善壳聚糖对细胞的特异性吸附,采用水溶性碳二亚胺将生物活性短肽精氨酸-甘氨酸-天冬氨酸-丝氨酸(RGDS)固定到壳聚糖膜的表面,采用X射线光电子能谱检测固定多肽前后的壳聚糖膜表面,发现反应后壳聚糖膜表面氮元素含量增大,Nls和Cls曲线拟合谱中酰胺键增多,表明RGDS短肽已固定到壳聚糖膜的表面;人角膜缘上皮细胞体外培养实验表明,固定RGDS后壳聚糖膜的细胞黏附率有了明显提高,固定RGDS后的壳聚糖膜在角膜组织工程支架等方面有更好的应用潜力。     

Astrophysical S-factors from asymptotic normalization coefficients

S-factors for direct capture reactions can be found at astrophysical energies from asymptotic normalization coefficients which provide the normalization of the tail of the overlap function. For example the overlap for ⁸B → ⁷Be+p defines the S-factor for ⁷Be (p, γ)⁸B. Peripheral transfer reactions offer a technique to determine these asymptotic normalization coefficients. As a test of the technique, the ¹⁶O(³He, d)¹⁷F reaction has been used to determine asymptotic normalization coefficients for transitions to the ground and first excited states of ¹⁷F. The S-factors for ¹⁶O(p, γ)¹⁷F calculated from these ¹⁷F → ¹⁶O+p asymptotic normalization coefficients are found to be in very good agreement with recent measurements. Following the same technique, the ¹⁰B(⁷Be, ⁸B)⁹Be and ¹⁴N(⁷Be, ⁸B)¹³C reactions have been used to measure the asymptotic normalization coefficient for ⁷Be(p, γ)⁸B. This result provides an indirect determination of S ₁₇(0).     

Electronically excited rubidium atom in helium clusters and films. II. Second excited state and absorption spectrum

Following our work on the study of helium droplets and film doped with one electronically excited rubidium atom Rb(?) ((2)P) [M. Leino, A. Viel, and R. E. Zillich, J. Chem. Phys. 129, 184308 (2008)], we focus in this paper on the second excited state. We present theoretical studies of such droplets and films using quantum Monte Carlo approaches. Diffusion and path integral Monte Carlo algorithms combined with a diatomics-in-molecule scheme to model the nonpair additive potential energy surface are used to investigate the energetics and the structure of Rb(?)He(n) clusters. Helium films as a model for the limit of large clusters are also considered. As in our work on the first electronic excited state, our present calculations find stable Rb(?)He(n) clusters. The structures obtained are however different with a He-Rb(?)-He exciplex core to which more helium atoms are weakly attached, preferentially on one end of the core exciplex. The electronic absorption spectrum is also presented for increasing cluster sizes as well as for the film.