NO分子的基态（X2П）和激发态（a4П and B2П）光谱常量和振动能级的计算

本文使用完全活性空间自洽场/多组态相互作用 (CAS SCF/MRCI)理论, 以cc-pVDZ 为基组,计算了NO分子基态(X2Π)和激发态 (a4П and B2П)的平衡结构和单点能扫描曲线.采用最小二乘法拟合了Murrell-Sorbie函数, 得到了NO分子的解析势能曲线,并利用Rydberg-Klein-Rees方法,计算得到的NO分子相应态的谐振频率和其它的光谱数据(ωe、αe、ωeχe、 βe)与实验值十分一致,和其它理论计算方法进行比较,发现该方法有更好的准确性. 以得到的解析势能函数为基础, 求解NO分子核运动的一维径向Schrdinger方程, 获得了更高振动态的振动能级.     

铂原子高激发态能级自然辐射寿命测量研究

运用时间分辨激光诱导荧光技术和激光诱导等离子体方法测量了铂原子的15条奇宇称高激发态能级的自然辐射寿命．测量结果处于6.1到116 ns之间,且误差低于10%．经比较,与前人结果在误差范围内符合很好．据文献调研所知,结果中有5条高度接近60000 cm−1的高激发态能级的寿命值是未见报道的．     

Dirac R-matrix calculations of photoionization cross sections of Ni XII and atomic structure data of Ni XIII

We performed R-matrix calculations for photoionization cross sections of the two ground state configuration 3s²3p⁵ (²P^o_3/2,1/2) levels and 12 excited states of Ni XII using relativistic Dirac Atomic R-matrix Codes (DARC) across the photon energy range between the ionizations thresholds of the corresponding states and well above the thresholds of the last level of the Ni XIII target ion. Generally, a good agreement is obtained between our results and the earlier theoretical photoionization cross sections. Moreover, we have used two independent fully relativistic GRASP and FAC codes to calculate fine-structure energy levels, wavelengths, oscillator strengths, transitions rates among the lowest 48 levels belonging to the configuration (3s²3p⁴, 3s3p⁵, 3p⁶, 3s²3p³3d) in Ni XIII. Additionally, radiative lifetimes of all the excited states of Ni XIII are presented. Our results of the atomic structure of Ni XIII show good agreement with other theoretical and experimental results available in the literature. A good agreement is found between our calculated lifetimes and the experimental ones. Our present results are useful for plasma diagnostic of fusion and astrophysical plasmas.     

In-beam γ-ray spectroscopy of <Superscript>190</Superscript>Po: First observation of a low-lying prolate band in Po isotopes

Gamma rays from excited states of ¹⁹⁰Po have been observed using the Jurosphere Ge-detector array coupled to the RITU gas-filled separator. They were associated with a collective band which from spin 4 onwards resembles the prolate rotational bands known in the isotones ¹⁸⁸Pb and ¹⁸⁶Hg. This indicates that in ¹⁹⁰Po the prolate configuration becomes yrast above I = 2. The experimental results are interpreted in a two-band mixing calculation and are in agreement with α-decay data and potential energy surface calculations. Received: 10 January 2003 / Accepted: 19 February 2003 / Published online: 7 May 2003     

High spin structure of 117I

High-spin states in ¹¹⁷I have been studied via the ¹⁰³Rh(¹⁸O, 4n) reaction at a beam energy of 85 MeV. Many deformed rotational bands built on the proton h_11/2, g_7/2, and g_9/2 orbitals have been identified. Among them, an unfavoured rotational band and a quasi-gamma band based on the h_11/2 state have been newly observed. Moreover, positive-parity states above I^π= 35/2⁺ reported in the previous work have been rearranged. Several energetically favoured states have been assigned to noncollective oblate states based on various quasiparticle configurations with β₂≈ 0.18–0.19 and γ= 60°. Received: 1 March 1999     

Theoretical study of potential energy surface and vibrational spectra of ArF2 system

Anab initio potential energy surface (PES) of ArF₂ system has been obtained by using MP4 calculation with a large basis set including bond functions. There are two local minimums on the PES: one is T-shaped and the other is L-shaped. The L-shaped minimum is the global minimum with a well depth of -119.62 cm^-1 atR = 0.3883nm. The T-shaped minimum has a well depth of -85.93cm^-1 atR = 0.3486 nm. A saddle point is found atR = 0.3486 and τ = 61° with the well depth of -61.53 cm^-1. The vibrational energy levels have been calculated by using VSCF-CI method. The results show that this PES supports 27 vibrational bound states, and the ground states are two degenerate states assigned to the L-type vibration.     

Suppression of Nonlinear Patterning Effect in Wavelength Conversion Based on Transient Cross-Phase Modulation in Semiconductor Optical Amplifier Assisted with a Detuning Filter

Nonlinear patterning （NLP） effect in wavelength conversion based on transient cross-phase modulation （XPM） in semiconductor optical amplifier （SOA） assisted with a detuning filter is theoretically investigated. A non- adiabatic model is used to estimate the ultrafast dynamics of gain, phase and electron temperature in the SOA. Simulation results show that the NLP can be greatly suppressed by introducing an assist light, especially for the probe wavelength distant from gain peak. Furthermore, the results also indicate that the improvement is more evident for long wavelength probe light and assist light in counter-propagating configuration.     

硅量子点的形状及其弯曲表面效应

硅量子点的弯曲表面引起系统的对称性破缺, 致使某些表面键合在能带的带隙中形成局域电子态.计算结果表明:硅量子点的表面曲率不同形成的表面键合结合能和电子态分布明显不同. 例如, Si–O–Si桥键在曲率较大的表面键合能够在带隙中形成局域能级, 而在硅量子点曲率较小的近平台表面上键合不会形成任何局域态, 但此时的键合结合能较低. 用弯曲表面效应(CS)可以解释较小硅量子点的光致荧光光谱的红移现象. CS效应揭示了纳米物理中又一奇妙的特性. 实验证实, CS效应在带隙中形成的局域能级可以激活硅量子点发光. 关键词： 硅量子点 弯曲表面效应 表面键合 局域能级     

Theoretical Study on Negative Parity States of^（191,193,195,197） Au in Particle Triaxial-Rotor Model

By taking the particle triaxial-rotor model with variable moment of inertia, we investigate the energy spectra, the deformation and the single particle configuration of the negative-parity states in nuclei^（191,193,194,197） Au systemically. The calculated energy spectra agree well with experimental data. The obtained results indicate that the negative-parity states in^（191,193,195,197）Au originate from the proton-hole h11/2 configuration coupled to a triaxial oblate Hg core. Meanwhile the main single particle configuration of the bands 1, 2 and 3 are identified to be [5h11/2 1/2） （α=-1/2）, [5h11/2 1/2） （α = 1/2） and 15h9/2 7/2）, respectively.