Analysis of Dα（Hα） spectrum emitted in front of the limiter in HT-7^＊

In order to understand the recycling and emission processes of hydrogen atoms in HT 7, spectral profiles of the Dα（Hα） line emitted in front of the limiter have been observed with a high-resolution spectrometer and simulated by using the neutral particle transport code DEGAS 2. The results show that four processes are necessary to interpret the Dα（Hα） line shape： 1） atom desorption, 2） molecular dissociation, 3） particle reflection, and 4） charge-exchange. The products of the first two processes are cold atoms which emit photons near the peak of Dα（Hα） line shape, and those from the last two are warm atoms contributing to the blue side of the spectrum. For a typical ohmic discharge （shot 68520 ne（0） ≈ 3× 10^19 m^-3. these components contribute 32%, 15%, 32% and 21%, respectively. Dα（Hα） line shapes under different plasma parameters are also discussed in this paper.     

A theoretical study on the B3 phases of ZnSe: Structural and electronic properties

We analysed the process of \(B_{c}^{+}{\to } D_{s}^{+}\overline {K}^{0^{\ast } }\) using QCD factorization (QCDF) and final-state interaction (FSI) effects. First, the \(B_{c}^{+}{\to } D_{s}^{+}\overline {K}^{0^{\ast } }\) decay is calculated using QCDF method. The value found by using the QCDF method is less than the experimental value. Then we considered FSI effect as a sizable correction where the intermediate state \(D^{+^{\ast } }\pi ^{0}\) mesons via the exchange of \(K^{0}(K^{0^{\ast } })\) are produced. To consider the amplitudes of this intermediate state, the QCDF approach was used. The experimental branching ratio of \(B_{c}^{+}{\to } D_{s}^{+}\overline {K}^{0^{\ast } }\) decay is less than 0.4×10^?6 and our results are (0.21±0.04)×10^?7 and (0.37±0.05)×10^?6 from QCDF and FSI, respectively.     

Effects of discharge current and voltage on the high density of metastable helium atoms

Both hollow-cathode and Penning-type discharges were adopted to excite helium atoms to a metastable state. Experimental data indicate that Penning discharge is more suitable for generating high fractions of metastables in a low-density helium beam for laser-induced fluorescence technique in measuring electric fields at the edge of a plasma. The metastable density increases with increasing helium gas pressure in the range of 1.33×10^{-2}－66.7Pa. The highest metastable density of 3.8×10^{16}m^{-3} is observed at a static gas pressure of 66.7Pa. An approximately linear relationship between the density of metastable helium atoms and the plasma discharge current is observed. Magnetic field plays a very important role in producing a high density of metastable atoms in Penning discharge.     

The open-charm radiative and pionic decays of molecular charmonium <Emphasis Type="Italic">Y</Emphasis>(4274)

In this work, we investigate the decay widths and the line shapes of the open-charm radiative and pionic decays of Y(4274) with the \(D_{s}\bar{D}_{s0}(2317)\) molecular charmonium assignment. Our calculation indicates that the decay widths of \(Y(4274)\to D^{+}_{s}D^{*-}_{s}\gamma\) and \(Y(4274)\to D^{+}_{s}D^{-}_{s}\pi^{0}\) can reach up to 0.05 keV and 0.75 keV, respectively. In addition, the result of the line shape of the photon spectrum of \(Y(4274)\to D_{s}^{+} {D}_{s}^{*-} \gamma\) shows that there exists a very sharp peak near the large end point of photon energy. The line shape of the pion spectrum of \(Y(4274)\to D_{s}^{+} {D}_{s}^{*-} \pi^{0}\) is similar to that of the pion spectrum of \(Y(4274)\to D_{s}^{+} {D}_{s}^{*-} \gamma\), where we also find a very sharp peak near the large end point of pion energy. According to our calculation, we suggest further experiments to carry out the search for the open-charm radiative and pionic decays of Y(4274).     

The dissociative ionization and Coulomb explosion of ethane by a femtosecond laser field

Femtosecond laser-induced dissociation and Coulomb explosion of polyatomic molecule C_2H_6 were systematically investigated using a time-of-flight mass spectrometer and a chirped pulse amplifier laser. With the laser intensity varying from 2.4×10^{15}W/cm^{2} to 1.2×10^{16}W/cm^2, strong molecular ions C_2H_n^+ (n=0－6) and atomic ions C^{m+} (m=1－3) signals were observed. The double-peak structure of atomic ions indicated the occurrence of Coulomb explosion. Compared with the nearly isotropic distribution of C^{+}, highly charged ions C^{m+} (m=2－3) exhibited a sharply anisotropic angular distribution, which was attributed to the geometric alignment.     

Theory of nine elastic constants of biaxial nematics

In this paper, a rotational invariant of interaction energy between two biaxial-shaped molecules is assumed and in the mean field approximation, nine elastic constants for simple distortion patterns in biaxial nematics are derived in terms of the thermal average （Dmn^（l）） （Dm＇n＇^（l＇））, where Dmn^（l） is the Wigner rotation matrix. In the lowest order terms, the elastic constants depend on coefficients Γ,Γ＇, λ, order parameters Q0 = Q0（D00^（2）） ＋Q2（D02^（2）＋D0-2^（2）） and Q2 = Q0（D20^（2）） ＋ Q2（D22^（2）＋D2-2^（2））. Here Γ and Γ＇ depend on the function form of molecular interaction energy vj′j″j （τ12） and probability function fk′k″k （τ12）, where r12 is the distance between two molecules, and λ is proportional to temperature. Q0 and Q2 are parameters related to multiple moments of molecules. Comparing these results with those obtained from Landau-de Gennes theory, we have obtained relationships between coefficients, order parameters used in both theories. In the special case of uniaxial nematics, both results are reduced to a degenerate case where K11=K33.     

The dissociation pathways of N2+ in intense femtosecond laser fields

Using a neutral N2 beam as target,this paper studies the dissociation of N2+ in intense femtosecond laser fields(45 fs,～1×10 16 W/cm 2) at the laser wavelength of 800 nm based on the time-of-flight mass spectra of N + fragment ions.The angular distributions of N+ and the laser power dependence of N + yielded from different dissociation pathways show that the dissociation mechanisms mainly proceed through the couplings between the metastable states(A,B and C) and the upper excited states of N2+.A coupling model of light-dressed potential energy curves of N+2 is used to interpret the kinetic energy release of N+.     

Probing spin-orbit quenching in Cl (2P) + H2 via crossed molecular beam scattering

In our previous work we investigated electronically non-adiabatic effects in using crossed molecular beam scattering coupled with velocity mapped ion imaging. The prior experiments placed limits on the cross-section for electronically non-adiabatic spin-orbit excitation and electronically non-adiabatic spin-orbit quenching . In the present work, we investigate electronically non-adiabatic spin-orbit quenching for which is the required first step for the reaction of Cl^* to produce ground state HCl+H products. In these experiments we collide Cl (²P) with H₂ at a series of fixed collision energies using a crossed molecular beam machine with velocity mapped ion imaging detection. Through an analysis of our ion images, we determine the fraction of electronically adiabatic scattering in Cl^* +H₂, which allows us to place limits on the cross-section for electronically non-adiabatic scattering or quenching. We determine the following quenching cross-sections σ _quench(2.1 kcal/mol) = 26 ± 21 ?², σ _quench(4.0 kcal/mol) = 21 ± 49 ?², and σ _quench(5.6 kcal/mol) = 14 ± 41 ?².     

Investigation of Hadronic Quasi-Three-Body B Decays

We interest to investigate of the quasi-three-body decays of B⁰ meson to \({f_0}(980){K^ + }{\pi ^ - }({f_0}(980) \to \pi \pi )\) and \({\bar D_1}{(2420)^0}{\pi ^ + }{\pi ^ - }(\bar D_1^0) \to D{^{*-} }{\pi ^ + }\). The analysis of mentioned four-body decays is such as to factorize into the three-body decay and several channels observed. Hadronic three-body decays include both non-resonant and resonant contributions, on the basis of the factorization approach. In the case of B⁰ to vector pseudoscalar states appeared in factorized terms, the B* pole contribution is considered. Hence the matrix element of the B* → D₁ weak transition and strong vertex is computed. Therefore the theoretical values are (1.418 ± 0.21) × 10^?6 and (1.44 ± 0.2) × 10^?4, while the experimental results of them are \((1.4_{-0.6}^{+0.5})\times10^{-6}\), respectively. Comparing computational analysis values with experimental values show that our results are in agreement with them.     

Über die Hyperfeinstruktur der verbotenen Hg II-Linie λ 2815 Å und die Isotopieverschiebungskonstanten des Quecksilbers

Zeitschrift für Physik A Hadrons and nuclei - The hyperfinestructure of the Hg II-line λ 2815 Å $$(5d^{10} 6s{}^2S_{\tfrac{1}{2}} - 5d^9 6s^2 {}^2D_{\tfrac{5}{2}} )$$ , forbidden for...     

Semileptonic decays of B s 1, B s 2* , B s 0 and B s 1′

Stimulated by recent observations of the excited bottom–strange mesons B _s1 and B _s2^*, we calculate the semileptonic decays , which is relevant for the exploration of the potential of searching these semileptonic decays in experiment.     

Experimental determination of the branching ratiosp\bar p \to 2\pi ^0 ,\pi ^0 \gamma,and 2γ at rest

The branching ratios of \(p\bar p\) annihilations into the neutral final states 2π⁰, π⁰γ, and 2γ are measured by stopping antiprotons in liquid hydrogen. They are \(B_{2\pi ^0 } = \left( {2.06 \pm 0.14} \right) \times 10^{ - 4} \) , \(B_{\pi ^0 \gamma } = \left( {1.74 \pm 0.22} \right) \times 10^{ - 5} \) , andB _γγ<1.7×10^?6 (95% c.l.).     

Physisorption and dissociative chemisorption of H2 on sub-nanosized Al$_{13}^{-}$ anion cluster: ab initio study

We have studied the interaction of Al₁₃^-_{13}^{-} anion cluster with H₂. Both the long range interaction and dissociative adsorption have been examined using the established correlated ab initio methods, MP2 and CCSD(T), in conjunction with the augmented correlation consistent basis sets up to aug-cc-pVTZ. The formation of the weakly bound (physisorbed) end-on anion complex Al₁₃^-_{13}^{-}...H₂ is predicted for the interacting Al...H distances of 3.95 ? with the H-H axis pointing towards the ‘hollow’ site of Al₁₃^-_{13}^{-} and binding energy (D_e)D_{e}) of 0.7 kcal/mol at the estimated complete basis set (CBS) limit of CCSD(T). The barrier height for H₂ dissociation on Al₁₃^-_{13}^{-} of 41.6 (42.9) kcal/mol calculated at the ZPVE-corrected CCSD(T)/aug-cc-pVTZ (estimated CCSD(T)/CBS) level is at least twice as large as that evaluated by us for a dissociative adsorption of H₂ on an open-shell Al₁₃ neutral cluster. To our knowledge, this report presents the first “benchmark” quality study of the physisorption and dissociative chemisorption of molecular hydrogen on Al₁₃^-_{13}^{-} anion cluster.     

SF_6分子最高占据轨道对称性的判断

量化计算是理论研究分子的重要手段,对于具有高对称群的分子,采用子群计算是常用的方法.分子的电子态或分子轨道等的对称性在子群的表示中会出现重迭,从而不能从子群的结果直接给出电子态或分子轨道对称性的归属.本文以如何判断SF6基态1 A_(1g)的电子组态中最高占据轨道的对称性为例来解决这个问题.针对某些文献中的SF6基态1 A1g的电子组态中,最高占据轨道对称性是T_(1g)却写成T_(2g)的问题,采用Molpro量化计算软件,对SF6基态的平衡结构,进行了HF/6-311G*计算,得到了能量三重简并的最高占据轨道的函数表达式,进而运用O_h群的对称操作作用在三个轨道函数上,得到各操作的矩阵表示,于是得到特征标,最后确定了最高占据轨道为T_(1g)对称性.     

Spin-label Order Parameter Calibrations for Slow Motion

Calibrations are given to extract orientation order parameters from pseudo-powder electron paramagnetic resonance line shapes of ¹⁴N-nitroxide spin labels undergoing slow rotational diffusion. The nitroxide z-axis is assumed parallel to the long molecular axis. Stochastic-Liouville simulations of slow-motion 9.4-GHz spectra for molecular ordering with a Maier–Saupe orientation potential reveal a linear dependence of the splittings, \(2A_{\hbox{max} }\) and \(2A_{\hbox{min} }\), of the outer and inner peaks on order parameter \(S_{zz}\) that depends on the diffusion coefficient \(D_{{{\text{R}} \bot }}\) which characterizes fluctuations of the long molecular axis. This results in empirical expressions for order parameter and isotropic hyperfine coupling: \(S_{zz} = s_{1} \times \left( {A_{\hbox{max} } - A_{\hbox{min} } } \right) - s_{o}\) and \(a_{o}^{{}} = \tfrac{1}{3}\left( {f_{\hbox{max} } A_{\hbox{max} } + f_{\hbox{min} } A_{\hbox{min} } } \right) + \delta a_{o}\), respectively. Values of the calibration constants \(s_{1}\), \(s_{\text{o}}\), \(f_{\hbox{max} }\), \(f_{\hbox{min} }\) and \(\delta a_{o}\) are given for different values of \(D_{{{\text{R}} \bot }}\) in fast and slow motional regimes. The calibrations are relatively insensitive to anisotropy of rotational diffusion \((D_{{{\text{R}}//}} \ge D_{{{\text{R}} \bot }} )\), and corrections are less significant for the isotropic hyperfine coupling than for the order parameter.     

Collision-induced dissociation studies on gas-phase titanium oxide cluster cations

Titanium oxide cluster cations $\mathrm{Ti}_{x}\mathrm{O}_{y}^{+}$ are produced in a molecular beam by combining laser ablation of titanium with the supersonic expansion of oxygen into vacuum. The size distribution of the clusters produced is analyzed by time-of-flight reflectron mass spectrometry. The stable clusters appearing in the mass spectrum can be described by the general formula $(\mathrm{TiO})_{m}(\mathrm{TiO}_{2})_{n}(\mathrm{O}_{2})_{k}^{+}$ (with m,n=0,1,2,?? and k=0,1). Additionally, collision-induced dissociation studies of mass selected clusters colliding with Kr atoms in a gas cell have been performed. The results show that the clusters lose neutral O₂, TiO and/or (TiO₂) _n units, and the remaining charged fragments are those with the lowest ionization potentials. From these results the fragmentation cross section of the selected clusters is obtained.     

Study of 2β-decay of 100Mo and 82Se using the NEMO3 detector

After analysis of 5797 h of data from the detector NEMO3, new limits on neutrinoless double beta decay of ¹⁰⁰Mo (T _1/2>3.1×10²³y, 90% CL) and ⁸²Se (_{T 1/2}>1.4×10²³y, 90% CL) have been obtained. The corresponding limits on the effective majorana neutrino mass are: 〈m _v〉<(0.8–1.2) eV and 〈m _v〉<(1.5–3.1) eV, respectively. Also the limits on double-beta decay with Majoron emission are: T _1/2>1.4×10²²y (90% CL) for ¹⁰⁰Mo and T _1/2>1.2×10²²y (90% CL) for ⁸²Se. Corresponding bounds on the Majoron-neutrino coupling constant are 〈 g _ee〉<(0.5–0.9)×10^?4 and <(0.7?1.6)×10^?4. Two-neutrino 2β-decay half-lives have been measured with a high accuracy, $T_{1/2}^{100_{Mo} } = [7.68 \pm 0.02(stat) \pm 0.54(syst)] \times 10^{18} y$ and $T_{1/2}^{82_{Se} } = [10.3 \pm 0.3(stat) \pm 0.7(syst)] \times 10^{19} y$ .     

Analysis of the <Emphasis Type="Italic">Y</Emphasis>(4140) with QCD sum rules

In this article, we assume that there exists a scalar D_s^*[`(D)]<sub>s</sub><sup>*</sup>D_{s}^{\ast}{\bar{D}}_{s}^{\ast} molecular state in the J/ψ φ invariant mass distribution, and we study its mass using the QCD sum rules. The predictions depend heavily on the two criteria (pole dominance and convergence of the operator product expansion) of the QCD sum rules. The value of the mass is about M<sub>Ds<sup>*</sup>[`(D)]s^*</sub>=(4.43±0.16)M_{D_{s}^{\ast}{\bar{D}}_{s}^{\ast}}=(4.43\pm0.16)  GeV, which is inconsistent with the experimental data. The D_s^*[`(D)]_s^*D_{s}^{\ast}{\bar{D}}_{s}^{\ast} is probably a virtual state and is not related to the meson Y(4140). Another possibility, such as a hybrid charmonium, is not excluded.     

The structures and properties of FeSin/FeSi\hbox{$_{\mathsf{n}}^{+}$}+n/FeSi\hbox{$_{\mathsf{n}}^{-}$}−n (n = 1 ~ 8) clusters

The geometry, stability, and electronic properties of iron-doped silicon clusters FeSi _n /FeSi\hbox{$_{n}^{+}$}+n/FeSi\hbox{$_{n}^{-}$}?n (n = 1 ~ 8) have been systematically investigated using the density functional theory (DFT) approach at the B3LYP/6-311+G* level. Our results show that the ground state structures of FeSi _n /FeSi\hbox{$_{n}^{+}$}+n/FeSi\hbox{$_{n}^{-}$}?n change from planar to three-dimensional for n > 3. Bipyramidal structures, or their face-capped isomers, are favored for the larger clusters. For neutral FeSi _n clusters, their ground state structures are the trigonal, tetragonal, capped tetragonal, capped pentagonal, and combined tetragonal bipyramids for n = 4 ~ 8, respectively. The lowest-energy structures of the anionic FeSi\hbox{$_{n}^{-}$}?n clusters essentially retain similar frameworks to their neutral counterparts, while those of the cationic FeSi\hbox{$_{n}^{+}$}+n clusters are significantly deformed; this is confirmed by their calculated ionization potential and electronic affinity values. For most of the stable structures, the spin electronic configurations are s = 1 or 2 for neutral FeSi _n , s = 3/2 or 5/2 for ionic FeSi\hbox{$_{n}^{+}$}+n/FeSi\hbox{$_{n}^{-}$}?n. The average binding energy values generally increase with increasing cluster size, indicating the clusters can continue to gain energy during the growth process. Fragmentation and second-order energy peaks (maxima) are found at n = 2, 5, and 7 for FeSi _n /FeSi\hbox{$_{n}^{-}$}?n, n = 4 and 6 for FeSi\hbox{$_{n}^{+}$}+n, suggesting that these clusters possess higher relative stability. Furthermore, the HOMO-LUMO gap values show that anionic FeSi\hbox{$_{n}^{-}$}?n have greater chemical reactivity than cationic FeSi\hbox{$_{n}^{+}$}+n and neutral FeSi _n , except when n = 7.