Configuration interaction studies on the spectroscopic properties of PbO including spin-orbit coupling

Lead oxide(Pb O), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in Pb O, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of Pb O have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin–orbital coupling on the electronic structure of the Pb O molecule are estimated. The potential energy curves of 18 Λ-S states correlated to the lowest dissociation limit(Pb(~3P_g) + O(~3P_g)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm~(-1), for instance, X~1Σ~+, 1~3Σ~+,and 1~3Σ~-, and their spin–orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18 Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X~1Σ~+and 1~3Σ~+are consistent with the previous experimental results. The transition dipole moments from 1~1Π, 2~1Π, and 2~Σ to X~1Σ~+and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 1~1Π, 2~1Π, and 2~1Σ~+ states are evaluated.     

Calculation of dissociation temperature of quarkonium using Gaussian Expansion Method

The dissociation temperatures of quarkonium states in a thermal medium are obtained in the framework of the quark model with the help of the Gaussian Expansion Method(GEM).This is the first time this method has been applied to the dissociation problem of mesons.The temperature-dependent potential is obtained by fitting the lattice results.Solving the Schr¨odinger equation with the GEM,the binding energies and corresponding wave functions of the ground states and the excited states are obtained at the same time.The accuracy and efficiency of the GEM provide a great advantage for the dissociation problem of mesons.The results show that the ground states1~1S_(0 )and 1~3S_(1 )have much higher dissociation temperatures than other states,and the spin-dependent interaction has a significant effect on the dissociation temperatures of 1~3S_(1 )and 1~1S_0.We also suggest using the radius of the bound state as a criterion of quarkonium dissociation.This can help to avoid the inaccuracy caused by the long tail of quarkonium binding energy dependence on temperature.     

Medium effects in ΛK~+ pair production by 2.83 GeV protons on nuclei

We study ΛK~+ pair production in the interaction of protons of 2.83 GeV kinetic energy with C, Cu,Ag, and Au target nuclei in the framework of the nuclear spectral function approach for incoherent primary proton–nucleon and secondary pion–nucleon production processes, and processes associated with the creation of intermediate Σ~0K~+ pairs. The approach accounts for the initial proton and final Λ hyperon absorption, final K~+ meson distortion in nuclei, target nucleon binding, and Fermi motion, as well as nuclear mean-field potential effects on these processes.We calculate the Λ momentum dependence of the absolute ΛK~+ yield from the target nuclei considered, in the kinematical conditions of the ANKE experiment, performed at COSY, within the different scenarios for the Λ-nucleus effective scalar potential. We show that the above observable is appreciably sensitive to this potential in the low-momentum region. Therefore, direct comparison of the results of our calculations with the data from the ANKE-at-COSY experiment can help to determine the above potential at finite momenta. We also demonstrate that the two-step pion–nucleon production channels dominate in the low-momentum ΛK~+ production in the chosen kinematics and, therefore, they have to be taken into account in the analysis of these data.     

Photoassociation spectra of ultracold ~(85)Rb_2 molecule in 0_u~+ long range state near the 5S_(1/2)+ 5P_(1/2) asymptote

We investigate the high resolution photoassociation spectra of ~(85)Rb_2 molecules in 0~+_u long range state below the(5S_(1/2)+ 5P_(1/2)) asymptote. The ~(85)Rb atomic samples are trapped in a dark magneto–optical trap(MOT) and prepared in the dark state. With the help of trap loss technique, we obtain considerable photoassociation spectroscopy with rovibrational resolution, some of which have never been observed before. The observed spectrum is fitted by a rigid rotation model, and the rotational constants of ultracold ~(85)Rb_2 molecule in long range 0~+_u are obtained for different vibrational states. By applying the Le Roy–Bernstein method, we assign the vibrational quantum numbers and derive C_3 coefficient, which is used to obtain the potential energy curve.     

Accurate calculation of the potential energy curve and spectroscopic parameters of X~2Σ~+ state of ~(12)Mg~1H

High level calculations on the ground state of12Mg1 H molecule have been performed using multi-reference configuration interaction(MRCI) method with the Davidson modification. The core–valence correlation and scalar relativistic corrections are included into the present calculations at the same time. The potential energy curve(PEC) of the ground state, all of the vibrational levels and spectroscopic parameters are fitted. The results show that the levels and spectroscopic parameters are in good agreement with the available experimental data. The analytical potential energy function(APEF) is also deduced from the calculated PEC using the Murrell–Sorbie(M–S) potential function. The present results can provide a helpful reference for the future spectroscopic experiments or dynamical calculations of the molecule.     

Some Aspects of Nuclear Structure in Relativistic Approach

The nucleon effective interaction in the nuclear medium is investigated in the framework of the DiracBrueckner-Hartree-Fock (DBHF) approach. A new decomposition of the Dirac structure of nucleon self-energy in the DBHF is adopted for asymmetric nuclear matter. The properties of finite nuclei are investigated with the nucleon effective interaction. The agreement with the experimental data is satisfactory. The relativistic microscopic optical potential in asymmetric nuclear matter is investigated in the DBHF approach. The proton scattering from nuclei is calculated and compared with the experimental data. A proper treatment of the resonant continuum for exotic nuclei is studied. The width effect of the resonant continuum on the pairing correlation is discussed. The quasiparticle relativistic random phase approximation based on the relativistic mean-field ground state in the response function formalism is also addressed.     

Nucleonic ~1S_0 Superfluidity Induced by a Soft Pion in Neutron Star Matter with Antikaon Condensations

The nucleonic ~1S_0 superfluidity is investigated by solving the gap equation for the Reid soft-core potential as the nucleon-nucleon interaction in neutron star(NS) matter which is considered to be made up of p, e, μ and condensed antikaon matter. We mainly study the influence of the soft pion-induced potential on the nucleonic~1S_0 pairing gaps in the above NS matter. It is found that the intensities of the nucleonic ~1S_0 pairing gaps including the soft pion-induced potential are smaller than those calculated in the case of not including the soft pion-induced potential. Furthermore, the nucleonic ~1S_0 pairing gaps with the soft pion-induced potential fall into decline with the deepening of the optical potential of antikaons in the above NS matter, whereas they increase with the parameter η for the fixed optical potential of antikaons. Due to the appearance of the soft pion-induced potential, the maximum values of nucleonic ~1S_0 pairing gaps at parameter η = 0.20,0.55 are suppressed by1.7%-6.8% with respect to the case without soft pion-induced potential in the above NS matter.     

Configuration interaction calculations on the spectroscopic and transition properties of magnesium chloride

The potential energy curves(PECs) of 14 Λ–S states for magnesium chloride(Mg Cl) have been calculated by using multi-reference configuration interaction method with Davidson correction(MRCI + Q). The core-valence correlation(CV), scalar relativistic effect, and spin–orbit coupling(SOC) effect are considered in the electronic structure computations.The spectroscopic constants of X~2Σ~+ and A ~2Π states have been obtained, which are in good agreement with the existing theoretical and experimental results. Furthermore, other higher electronic states are also characterized. The permanent dipole moments(PDMs) of Λ–S states and the spinorbit(SO) matrix elements between Λ–S states are also computed. The results indicate that the abrupt changes of PDMs and the SO matrix elements are attributed to the avoided crossing between the states with the same symmetry. The SOC effect is taken into account with Breit–Pauli operator, which makes the 14Λ–S states split into 30 ? states, and leads to a double-well potential of the ? =(3)1/2 state. The energy splitting for the A2Π is calculated to be 53.61 cm~(-1) and in good agreement with the experimental result 54.47 cm~(-1). The transition dipole moments(TDMs), Franck–Condon factors(FCFs), and the corresponding radiative lifetimes of the selected transitions from excited ? states to the ground state X~2Σ + 1/2 have been reported. The computed radiative lifetimes τν of low-lying excites ? states are all on the order of 10 ns. Finally, the feasibility of laser cooling of Mg Cl molecule has been analyzed.     

Configuration interaction study on low-lying states of AlCl molecule

High-level ab initio calculations of the Λ–S states for aluminum monoiodide(Al Cl) molecule are performed by utilizing the explicitly correlated multireference configuration interaction(MRCI-F12) method. The Davidson correction and scalar relativistic correction are investigated in the calculations. Based on the calculation by the MRCI-F12 method, the spin–orbit coupling(SOC) effect is investigated with the state-interacting technique. The adiabatic potential energy curves(PECs) of the 13 Λ–S states and 24 Ω states are calculated. The spectroscopic constants of bound states are determined,which are in accordance with the results of the available experimental and theoretical studies. Finally, the transition properties of 0~+(2)–X0~+, 1(1)–X0~+, and 1(2)–X0~+ transitions are predicted, including the transition dipole moments(TDMs),Franck–Condon factors(FCFs), and the spontaneous radiative lifetimes.     

3S1–3D1 coupled channel ΛcN interactions:chiral effective field theory versus lattice QCD

We study the lattice QCD Λ_cN phase shifts for the ³S₁-³D₁ coupled channel using both the leading order covariant chiral effective theory and the next-to-leading order non-relativistic chiral effective field theory(ChEFT).We show that although it is possible to describe simultaneously the ³S₁ and ³D₁ phase shifts and the inelasticity η₁,the fitted energy range is quite small,only up to E<...     

BP+基态和激发态的势能曲线和光谱性质的研究

本文利用量子化学中的多参考组态相互作用方法(MRCI), 在aug-cc-pVQZ级别计算了在环境科学中具有重要作用的离子BP⁺. 得到了对应三个离解极限B⁺(¹S_g)+P(⁴S_u), B⁺(¹S_g)+P(²D_u)以及B⁺(¹S_g)+P(²P_u)的6个Λ-S态势能曲线. 在计算中还考虑了Davidson修正(+Q)和标量相对论效应, 用以提高计算精度. 通过分析Λ-S态的电子结构, 确认了电子态的多组态特性. 计算中首次纳入了旋轨耦合效应, 获得了由BP⁺离子的6个Λ-S态分裂出的10个Ω 态的势能曲线. 计算得到的势能曲线表明相同对称性的Ω 态的势能曲线存在着明显的避免交叉. 在得到的Λ-S态和Ω 态的势能曲线的基础上, 运用LEVEL8.0程序通过求解核径向的Schrödinger 方程, 得到了相应的Λ-S态和Ω 态的光谱常数T_e, R_e, ω_e, ω_eχ_e, B_e和D_e, 其中基态X⁴∑^-的光谱常数与已有的理论值符合的非常好, 文中其他电子态的光谱常数均为首次报道. 关键词： 多参考组态相互作用方法(MRCI) 势能曲线 光谱常数 旋轨耦合效应     

LaF3∶Er,Yb纳米颗粒掺杂有机/无机杂化材料制备光波导放大器及特性研究

采用LaF₃∶Er,Yb纳米颗粒掺杂有机/无机杂化材料作为有源材料,制备了掩埋条形结构光波导放大器,研究了放大器在室温下的增益特性和波导中的频率上转换现象. 当抽运功率60 mW时,波导中明显可见绿色上转换发光,观测到Er³⁺从²H_9/2,²H_11/2,⁴S_3/2,⁴F_9/2到基态⁴I_15/2跃迁分别对应的4个波长分别为405?nm, 520?nm, 544?nm和650?nm的发射峰,分析了其产生机理. 当输入信号光06?mW,抽运功率160 mW时,在1535?nm波长处获得15 dB/cm的相对增益. 关键词： 光波导放大器 增益 上转换     

Supersymmetric correction to top quark pair production near threshold

We studied the leading supersymmetric contribution to top–antitop threshold production using the NRQCD framework. The one-loop matching to the potential and the Wilson coefficient of the leading ³S₁ production current were considered. We point out that the leading correction to the potential is zero due to SU(3)_c gauge invariance. This is true in general for any new physics that enters above the electroweak scale. The shape of the top quark pair production cross section is therefore almost unaffected near threshold, allowing a precise determination of the top quark mass based on the Standard Model calculations. The supersymmetric correction to the Wilson coefficient c₁ of the production current decouples for heavy super particles. Its contribution is smaller than the Standard Model next-to-next-leading-log results.     

Zeeman scanning of alkaline-earth absorption line profiles in flames at atmospheric pressure

Absorption line profiles of the resonance lines (¹P₁-¹S₀) of calcium, strontium and barium were measured in laminar, premixed shielded acetylene-air flames at atmospheric pressure by making use of a Zeeman scanning technique. The central wavelenght of the narrow atomic emission line in a low-pressure discharge containing Ca, Sr and Ba, respectively, was changed by less than ±0.2 Å with a variable magnetic field.

Values for the line shift, the asymmetry ratio, collisional half-width and damping parameter “a” were derived from these profiles at a flame temperature of 2275 ±10°K. Effective values for collisional cross sections were calculated.

Values for the line-damping parameter (and effective collisional cross sections) were determined under the same experimental conditions by using a variant of the “curve-of-growth” method. The results derived from the two methods were found to be consistent.

The new experimental results were compared with recent literature data. An attempt was also made to fit our experimental data to the Lindholm-Foley line-broadening theory for a Lennard-Jones type interaction; we have derived values for the constants C₆ and C₁₂ occuring in this potential.     

A new effective potential for deuteron

We calculate for the first time the static properties of the deuteron, within the framework of supersymmetric quantum mechanics, analytically. A new effective potential and its partner are derived from a superpotential so that all parameters are fitted by the experimental data. An analytical expression is obtained for the deuteron wave function and contributions of the orthogonal ¹³S₁ and ¹³D₁ states are determined, explicitly. Compared to one pion exchange, the superpotential produces an electrostatic as well as two pion exchange terms for the potential. The saddle point radius of the potential and the maximum of the wave function are linearly proportional. In comparison with other methods, the approach presented in this paper is a new and extensible symmetry-based approach that, despite its straightforward calculations and explicit analytical expressions, provides a good explanation for two-body effective interactions such as two-nucleon systems and diatomic molecules.     

New evidence for a subshell gap at N=32

An 879.9(2) keV γ-ray transition has been identified following the β decay of ⁵⁸V and assigned as the 2⁺₁→0⁺₁ transition in ⁵⁸Cr₃₄. A peak in the energies of the first excited 2⁺ states for the even–even chromium isotopes is now evident at ⁵⁶Cr₃₂, providing empirical evidence for a significant subshell gap at N=32. The appearance of this neutron subshell closure for neutron-rich nuclides may be attributed to the diminished π1f_7/2–ν1f_5/2 monopole proton–neutron interaction as protons are removed from the 1f_7/2 single-particle orbital.     

Ce3+, Mn2+共掺的Ca4Y6 (SiO4)6F2的发光性质和能量传递

采用高温固相法制备了Ca_4-xY_5.95 (SiO₄)₆F₂:0.05Ce³⁺, _xMn^{2 +}系列荧光粉,并对其发光性质以及Ce³⁺, Mn^{2 +}在Ca₄Y₆ (SiO₄)₆F₂ (CYSF)基质中的能量传递过程进行了研究.相结构研究表明: CYSF属于一种基于磷灰石结构的类质同象化合物.CYSF: 0.05Ce³⁺, _xMn²⁺荧光粉在200–373 nm为宽带激发光谱,Ce³⁺和Mn²⁺在408 nm和602 nm的发射峰分别由Ce³⁺的5d→4f的跃迁和Mn²⁺的⁴T₁ (⁴G)→ ⁶A₁ (⁶S)的跃迁产生.光谱重叠现象以及荧光寿命测试结果证明了Ce³⁺对Mn²⁺具有敏化作用,能级结构分析进一步证实该体系中存在Ce³⁺→Mn²⁺的能量传递过程,可有效地将Ce³⁺的蓝光转换为红橙光. 关键词： 磷灰石 发光性质 能量传递     

Renormalization of singlet NN-scattering with one pion exchange and boundary conditions

We present a simple and physically compelling boundary condition regularization scheme in the framework of effective field theory as applied to nucleon–nucleon interaction. It is free of off-shell ambiguities and ultraviolet divergences and provides finite results at any step of the calculation. Low-energy constants and their non-perturbative evolution can directly be obtained from experimental threshold parameters in a completely unique, one-valued and model independent way when the long range explicit pion effects are removed. This allows to compute scattering phase shifts which are, by construction consistent with effective range expansion to a given order in the CM momentum and are free from finite cut-off artifacts. We illustrate how the method works in the ¹S₀ channel for the one pion exchange potential.     

Duree de vie et depolarisation par collisions avec l''helium des niveaux 5P3/2 Et 5P1/2 de l''ion Cd

The lifetimes of the Cd⁺ 5²P_3/2 and 5²P_1/2 states have been measured by the Hanle effect. The Cd⁺ ions are produced in a d.c. discharge in cadmium vapor, with helium as buffer gas. The results are: τ(5²P_3/2) = (2.60±0.20) ×10⁻⁹sec, and τ(5²P_1/2) = (3.05 ± 0.13) × 10⁻⁹sec.

We measured also the cross sections for the destruction of the orientation in the 5²P_1/2Cd⁺ state (<5Ų), of the orientation (18±10Ų) and of the alignment (46±10Ų) in the 5²P_3/2 state due to collisions with the helium atoms.