Al-X谱线电子碰撞展宽的理论研究

 使用R-矩阵方法和半经验方法,计算了高价离子Al-X 2s^{2 1}S-2s2p¹P⁰共振谱线在电子密度为10¹⁷cm^-3时的线宽和线移随温度的变化关系,两种计算得到的线宽结果符合得比较好。使用半经验方法可以获得大量谱线的电子碰撞展宽,以满足需要大量数据的等离子体不透明度的计算的需要。使用半经验方法同时得到了其它一些谱线的电子碰撞宽度。     

双光子共振非简并四波混频测量钡原子里德伯态碰撞展宽中的伴线研究

研究了采用双光子共振非简并四波混频技术测量原子里德伯态碰撞展宽时出现的伴线现象, 测量了不同缓冲气压下的钡原子里德伯态6snd ¹D₂ (n=16, 22, 36) 的四波混频谱线, 研究了伴线随主量子数n 的变化曲线以及伴线信号强度随缓冲气压压强的变化曲线, 分析了伴线对NFWM谱线的线宽的影响, 发现考虑伴线对四波混频谱线线宽的贡献, 可以对NFWM模型下测量到的碰撞展宽系数进行修正.     

Ar+17和 Ar+16谱线的电子碰撞展宽

利用修改后伦敦理工大学的UCL扭曲波程序, 本文计算了自由电子与原子或离子的碰撞反应矩阵, 以此得到它的散射矩阵和碰撞强度.利用碰撞强度, 研究电子碰撞对辐射谱线影响.具体地, 以Ar⁺¹⁷和Ar⁺¹⁶的α线和β线为例, 计算了不同电子温度和密度下谱线的展宽和位移.     

Ge中束缚施主电子的自旋共振及其各向异性线宽

本文利用Ge中浅施主杂质的有效质量波函数,计算了束缚电子的等效自旋哈密顿量,得到在没有外压力及内应力情况下,仅当Ge的导带极值偏离(2π)/α[111]点时,共振频率才是各向导性的。指出通过电子-核双共振实验可能较确切的判断Ge中导带极值的位置。利用畸变势理论及微扰论,计算了在一般缓变的非均匀内应力作用下,共振频率及自旋共振线宽随磁场方向的各向异性变化。最后具体计算了在以拉伸法生长的晶体中和在弯曲的范性形变下,在最主要的位错类型([211]方向刃型及[110]方向螺型位错)应力场作用下自旋共振线宽的非均匀加宽,指出对于不同类型及不同取向的位错有不同的各向异性线宽。与Wilson的实验结果比较,我们得到当位错密度小于10⁴εcm^-2时,位错应力不是形成线宽的主要原因,当磁场在不同的(110)平面内旋转时,线宽将有相似的各向异性。当位错密度大于10⁵εcm^-2时,位错应力对线宽的贡献是主要的。这很容易由实验判断。     

高离化态硫离子光谱的理论分析

 在考虑组态相互作用的基础上,利用包含相对论修正的Hartree-Fock(HFR)理论对S⁸⁺-S¹³⁺离子的谱线波长及加权振子强度等有关原子参数进行了系统计算,并与最新的实验观测和其它理论计算结果进行了比较。计算结果表明：S⁸⁺-S¹¹⁺的各个原子态在LS耦合下纯度很高,随着离化度的增大,S¹²⁺和S¹³⁺离子的部分原子态能级出现混合,组态相互作用逐渐增强。通过对实验结果的分析,识别出32条实验谱线,其中大多数谱线来自S⁸⁺-S¹³⁺离子的2s²2p^k-2s2p^k+1和2s2p^k+1-2s2p^k+2(k=0,1,2,3,4)之间的跃迁,理论计算结果与实验谱线波长之间的绝对误差大多数都在实验的有效分辨力以内。     

高激发213Fr核的形变研究

对132MeV ¹⁶O+¹⁹⁷Au反应产生的裂变碎片和巨偶极共振γ射线进行了符合测量,得到了E=92MeV的高激发²¹³Fr的γ衰变谱和γ角关联谱.观测到复合核巨偶极共振γ角关联谱存在很大的各向异性.利用改进的统计模型程序分析了实验数据,不考虑裂变延迟时,统计模型计算可以很好拟合地实验结果.通过对γ角关联谱的理论计算与实验结果的比较,可以得出高激发²¹³Fr核(E=92MeV)的形状从集体长椭球向非集体扁椭球变化.     

双光子共振非简并四波混频测量Ba原子里德伯态的碰撞展宽和频移

采用双光子共振非简并四波混频测量了Ar缓冲气压引起的Ba原子里德伯6snd ¹D₂谱线系的碰撞展宽和频移, 计算了n=16---33的碰撞展宽截面和频移截面. 本方法是一种纯光学的测量技术, 当采用窄带激光器时可以获得里德伯态的消多普勒光谱. 与传统实验方法测量到的里德伯态纵向弛豫的碰撞展宽不同, 本方法可以研究碰撞引起的两能态间横向弛豫的展宽.     

单极巨共振的相对论平均场计算

利用最近完成的相对论平均场理论的计算程序,研究了原子核单极巨共振.计算了¹⁶O,⁴⁰Ca和²⁰⁸Pb的同位旋标量和同位旋矢量单极巨共振.得到的结果与实验符合较好.     

低能电子与类锂碳离子碰撞的共振激发

 考虑了内壳层电子激发的组态相互作用后,采用R矩阵方法计算了电子碰撞类锂碳离子的共振激发碰撞强度。对于1s²2s²s-1s²2p²p跃迁,结果介于密耦方法和Coulomb-Born交换近似结果之间,而且除了紧靠近激发阈值的 能量区域外与实验结果符合。     

CO2对790 nm附近水线的压力加宽和位移

采用高灵敏的激光光腔衰荡光谱技术研究了CO₂对¹⁶O水分子v²+3v³振动带跃迁线的压力诱导效应. 为了抑制水的自碰撞效应,水的压力在实验中低于0.5 Torr. 基于铷原子吸收线和超稳法布里-珀罗标准确定了跃迁谱线高达10^-5 cm^-1精度的绝对频率. 采用软碰撞模型对吸收线进行模拟,获得了对应的线形参数.     

类锂“洞原子”2s2s2p2P0和2s2p2p2D三激发共振系列的能量、精细结构和寿命

采用多通道鞍点和鞍点复数转动方法，计算了类锂离子(Z=3—10)2s2s2p²P⁰和2s2p2p²D三激发共振态系列的能量、精细结构和寿命.Auger宽度由耦合主要的通道得到，相对论效应计算到一级微扰，质量极化效应计算到无穷级. 关键词：     

Self-broadening and shifting of HI lines in the 1-0 and 2-0 infrared bands

Pressure-broadening and -shifting coefficients of pure HI at room temperature have been determined from fits of high-resolution Fourier transform spectra in the fundamental and first overtone infrared bands. The results indicate that the measured widths are almost identical in both bands and decrease significantly with the rotational quantum number. On the contrary, the pressure-induced shifts show a strong dependence on both the rotational and vibrational states. These results are compared with predictions of a semi-classical model. The latter leads to calculated values in good agreement with measurements and shows that the broadening is dominated by electrostatic interactions due to the (permanent) electric dipole and quadrupole moments. On the contrary, the observed shifts cannot be explained without the introduction of a significant vibrationally dependent isotropic potential. The effects of line coupling between hyperfine components are also discussed although they are expected to be small and cannot be observed from the measured spectra. Finally, some tabulated values of calculated widths and shifts vs. quantum numbers and temperature are proposed. They should be useful for infrared sounding of HI amounts, particularly in the monitoring of the hydrogen production through the sulfur-iodine thermochemical cycle.     

类锂离子2s2p2p^2S三激发态的能量和宽度

采用马鞍点变分方法和复数转动技术，计算了类锂离子２ｓ２ｐ２ｐ２Ｓ三激发共振态的能量，并运用截断变分方法得到能量改进量，以及计算了相对论效应、质量极化效应，从而获得了高精度的能量计算值。还计算了该系统的Ａｕｇｅｒ宽度，位移和辐射跃迁率。     

Widths and shifts of HF vibration-rotation absorption lines induced by pressure of rare gases

Widths and shifts of the HF vibration-rotation absorption spectrum, induced by the pressure of rare gases, have been calculated using the Kolb-Griem-Baranger theory, for the pure rotation, 0–1, and 0–2 bands. Agreement between the calculated and experimental widths is good in general, but the calculated shifts, though having a qualitatively correct m-dependence for the most part, exceed the experimental values by a factor of 1·3-2·0. Isotropic effects are included to all orders, leading to three major consequences: (1) a criticism is made regarding one of the assumption underlying Anderson's approximation number two, (2) a reason is provided for the differences in widths of R and P branch lines of the same ∣m∣ within a given band, and (3) the previously unexplained increase in widths with increasing ∣m∣ in the 0–2 band with xenon is explained.     

Air broadening of the hydrogen halides—I. N2-broadening and shifting in the HCl fundamental

The widths and shifts of the fundamental band vibration-rotation lines of HCl under N₂ pressure have been calculated using the resolvent operator formalism of Kolb-Griem-Baranger. Time-development operator matrix elements are evaluated in a manner that is similar to the linked-cluster techniques, except that all anisotropic terms that are bilinear and second order are accounted for, as well as isotropic effects to all orders. The calculations include the use of a parabolic trajectory model and explicit velocity averaging. It is found that the major contributions to the linewidths arise from dipole-quadrupole, quadrupole-quadrupole and vibrationally dependent isotropic dispersion forces. Due to the reduction of the dipole-quadrupole and quadrupole-quadrupole contributions with increasing ¦m¦, the widths decrease with a leveling off at high ¦m¦, where dispersion forces dominate. A comparison between calculated and measured widths and shifts, for a range of temperatures from T=163 to 295 K, shows good overall agreement.     

Theoretical calculation of electron impact widths and shifts of XeII lines

Summary The shifts and widths of prominent XeII transitions are calculated in the semi-empirical approach; a very good agreement with experimental values is obtained. The oscillator strengths were calculated using complete intermediate coefficients after energy matrix diagonalization. The author of this paper has agreed to not receive the proofs for correction.     

Collisional parameters of H2O lines: effects of vibration

A complex semiclassical model for the calculation of line widths and shifts of H₂O broadened by N₂, derived from the Robert and Bonamy approach, is tested by comparisons with measurements for selected transitions in various vibrational bands. The lines retained, which involve rotational states with Kc=J or J−1 have been chosen for two reasons. The first is that they show large variations of the widths with J and thus enable a severe test of the model. The second is that, as explained in this paper, they are well-suited for the study of the effects of vibration on the collisional parameters. The measured values have been extracted from an updated version of a database built years ago (JQSRT 52 (1994) 481) that contains all available measurements. Comparisons between experimental and calculated widths and shifts at room temperature illustrate the quality of the model and clearly demonstrate, for the first time, that there is a vibrational dependence of the broadening. Values of collisional parameters are first studied in fundamental bands. This shows that the theoretical approach accounts for most of the dependence of broadening and shifting on rotational quantum numbers: the variations of γ, which reach a factor of nearly 20 from low to high J values, are correctly accounted for by the model as are some specific features of the shifts δ. Analysis confirms that the bending and stretching vibrations have significantly different effects on δ, due to the vibrational dependence of the intermolecular potential. On the other hand, differences on the widths are rather small with slightly smaller broadening for lines of the bending band. Calculations show that there is a spectroscopic effect, due to the larger rotational constant A in the v₂=1 state. Calculations made for overtone bands involving numerous quanta of the stretching vibration are then presented. They predict that a significant dependence of the width should be observed for high J lines due to the effect of vibration on the interaction potential. This is confirmed by comparisons with measurements for lines involving a change of three and four quanta of stretching vibration.     

Vector boson parameters: Scheme dependence and theoretical uncertainties

The renormalization scheme dependence of electroweak parameters shifts is used to estimate uncertainties due to higher order effects. Parameter shifts are calculated from weakly scheme dependent quantities, taking care of a systematic leading log summation. A “non-standard” definition of sin² θ _W is also considered which is to be used if the ρ-parameter is kept as free parameter. Results for the leptonic decay widths of the vector bosons are also given.     

CO2-broadened water in the pure rotation and ν2 fundamental regions

The CO₂-broadened water coefficients (half-widths, line shifts, and temperature dependence of the widths) are predicted using a fully complex Robert-Bonamy formulation for the 937 allowed and forbidden perpendicular type transitions of (000)-(000) between 200 and 900 cm⁻¹ in order to facilitate atmospheric remote sensing of Mars and Venus. In addition, empirical Lorentz line widths and pressure-induced frequency-shifts of CO₂-broadened H₂¹⁶O are obtained at room temperature for 257 perpendicular transitions of the (010)-(000) fundamental. For this, calibrated spectra recorded at 0.0054 cm⁻¹ resolution are measured assuming Voigt line shapes. For transitions between 1287 and 1988 cm⁻¹ with rotational quanta up to J = 13 and K_a = 6, the widths vary from 0.045 to 0.212 cm⁻¹ atm⁻¹ at 300 K; the pressure-shifts are quite large and range from −0.0386 to +0.0436 cm⁻¹ atm⁻¹. For the (010)-(000) band, the RMS and mean observed and calculated differences for CO₂-broadened H₂O half-widths are 12% and −1.9%, respectively, while the RMS and mean ratios of the observed and calculated pressure-induced shift coefficients are 1.6 and 0.79, respectively. For pairs of transitions involving K_a = 0 and 1, such as 2_0 2 ← 3_1 3 and 3_1 3 ← 2_0 2, both the calculated and observed pressure induced shifts in positions are opposite in sign and often similar in magnitude. The data are too limited to characterize vibrational dependencies of the widths, however.     

Shift and broadening of Na D lines at low pressure

The collision broadenings of the Na D lines were calculated from the transmission measurements of the vapor in sub-μTorr and μTorr regions by modeling the line shape with the Voigt profile. From the line shift, the average time between collisions is calculated. The ratio of the width to the shift is of the order of 10⁻⁴ implying that the impact approximation is valid. Expanding the line widths and shifts in powers of the product of number density and mean velocity of the atoms, the radiative transition probabilities, and the fundamental line shape constants: collision cross-sections and asymmetry of the lines are obtained. Moreover, from the line shifts and using the estimated value of the optical collision diameter obtained from the line widths, the average C₃ value, over the temperature ranges the experiment covers, is calculated.