N原子光电离截面的理论计算

利用R-矩阵方法计算了N原子基态在光子能量为1-3Ry范围内的光电离截面,给出了自电离态2s2p3(5S'0)np4P(n=3～10)的共振能量,我们的结果与已有的多组态Hartree-Fock理论计算(MCHF)及最近的实验结果相比符合得很好.     

类硼离子N2+光电离的R-矩阵理论计算

本文首次运用R-矩阵理论方法,分别在单通道近似和三态密耦近似下计算了离子N2+基态(1s22s22p) 2P的不同过程、不同分波的光电离截面及各分波的光电离截面随有效量子数的变化规律.在三态密耦近似下,由于大量的自电离态与连续态的相互作用,计算结果显示了光电离过程中非常丰富的Rydberg系列共振结构,是以前的理论计算中所从未涉及到的.     

镥的激光共振电离同位素选择性研究

本文在速率方程基础上通过数值模拟方法 ,对镥的激光共振电离通道 :5d6s2 2 D3 /2 (5 73.6 5 5nm)→5d6s6 p4F3 /2 (6 4 2 .5 18nm)→ 6s6 p2 4P1/2 (6 4 3.5 4 8nm)→Autoionizationstate的激光诱导同位素选择性进行了研究。在实际实验条件下用这一方法计算得到的激光波长对激光诱导同位素选择性的关系与实验结果相符合。探讨了在偏振激光作用的情况下各种激光参数 (波长、带宽和激光强度 )对激光诱导同位素选择性的影响 ,并提出了在一定实验条件下激光共振电离质谱计较为准确地测定同位素比值的方法。这一理论方法 ,同样适用于研究其它元素的激光共振电离同位素选择性和选择激光同位素分离电离通道     

钪原子的自电离里德伯能级3d4s(~1D_2)nf~2D_(3/2),3d4s(~1D_2)nf~2F_(5/2)和3d4s(~1D_2)np~2D_(3/2)的理论研究

在多通道量子亏损理论框架下,利用相对论多通道理论,分别在冻结实近似和考虑偶极极化下计算钪原子的Jπ=(3/2)-,(5/2)-的三个收敛于[Ar]3d4s(1D2)的自电离里德伯系列的能级.对3d4s(1D2)np2D3/2和3d4s(1D2)nf2F5/2这两个系列,计算结果表明,考虑偶极极化效应后,理论计算和实验测量的量子数亏损之差普遍小于0.01.而对3d4s(1D2)nf2D3/2系列,考虑偶极极化效应后的结果和仅考虑冻结实的结果比较接近,理论计算和实验测量的量子数亏损之差普遍在0.04左右.     

电子离子碰撞过程中的共振激发双自电离

利用相对论修正扭曲波玻恩近似, 计算了类钠离子Ti11+ 和Cr13+ 的电子碰撞直接电离, 激发自电离和共振激发双自电离截面. 理论数据与实验结果在整个能区内很好符合. 共振激发双自电离截面对总截面的贡献约为20%-30%, 对速率系数的影响较大, 不可忽略.     

用速度影像技术研究Eu原子6p_(1/2)8s的自电离衰变的分支比

本文采用速度影像技术对Eu原子的自电离弹射电子的动力学过程进行了系统研究.实验采用三步孤立实激发方法分步从基态4f76s6s8S7/2经中间态4f76s6p6P5/2激发到4f76s8s8P7/2Rydberg态上,然后将其进一步共振激发至4f76p1/2(J=3)8s和4f76p1/2(J=4)8s自电离态.根据所用的激发路径及其选择定则可以得出自电离态的总角动量的可能取值;通过自电离过程能量守恒和角动量守恒原理推测自电离衰变对应的离子终态信息.利用电子透镜对上述自电离过程中产生的弹射电子进行聚焦和成像,通过位置敏感探测器对其动能进行分辨,运用速度影像技术进行数学变换和计算得到弹射电子的能量分布,分析并给出Eu原子自电离衰变分支比.同时通过调谐第三步激光的波长,得出了分支比随光子能量的变化规律,探讨了实现Eu离子粒子数反转的可能性.     

钴、钛原子激发态光电离研究

本文报道紫外区钛和钴原子共振增强多光子电离(REMPI)谱和激发态绝对光电离截面。实验上通过激光烧蚀金属样品制备中性原子,由飞行时间质谱仪检测离子产物,在298-351nm范围扫描激光波长,得到钛原子和钴原子共振增强多光子电离谱;并根据共振离子信号强度与电离激光通量关系得到原子激发态的绝对光电离截面,这些激发态电离截面的实验值在0.5-4 Mb。     

钴、钛原子激发态光电离研究

本文报道紫外区钛和钴原子共振增强多光子电离(REMPI)谱和激发态绝对光电离截面。实验上通过激光烧蚀金属样品制备中性原子,由飞行时间质谱仪检测离子产物,在298-351nm范围扫描激光波长,得到钛原子和钴原子共振增强多光子电离谱;并根据共振离子信号强度与电离激光通量关系得到原子激发态的绝对光电离截面,这些激发态电离截面的实验值在0.5-4 Mb。     

C3+与Ne碰撞过程纯电离绝对截面的测量和研究

介绍了离子-原子碰撞过程中双微分绝对截面的计算方法.利用符合技术测量了中能区C³⁺+Ne碰撞系统的纯电离微分绝对截面. 将实验结果与多体经典蒙特卡罗方法计算结果进行对比后发现，纯电离截面随入射能量变化的趋势基本一致，对理论与实验产生差异的原因作了分析. 对多重电离的电离机制分析表明：高价态的反冲离子主要来自于俄歇贡献；随着入射能量的升高，电子-电子间的库仑作用也逐渐显现. 此实验方法可以用于相同实验装置上的各种反应出射道的绝对截面测量，入射离子种类及入射离子能量范围将得到拓展. 关键词： 离子-原子碰撞 绝对截面 纯电离     

同步辐射软X射线能区Ar原子光致电离截面的研究

利用北京同步辐射装置3W1B光束线产生的单色光作为光源,流气式无窗低压强双电离室作为气体容器,选择氩气作为实验气体,使用合适的公式和软件,实验测定了能量从180到2?70eV范围内若干压强点处光致电离截面与能量的关系曲线.发现在氩原子的L吸收边附近光致电离截面与压强有关:压强越低,截面越大.实验结果与理论结果进行了对比,结果表明,在15?0—2?0?5eV能量范围,理论与实验符合良好,但是在氩原子的L吸收边附近由于束线分辨率的原因,理论与实验有一定偏差.     

F3+和Ne4+离子的光电离截面的理论计算

利用R矩阵方法计算了F³⁺和Ne⁴⁺离子的基态2s²2p²(³P)和激发态2s²2p² (¹D,¹S),2s2p³ (⁵S^o)的分波光电离截面、总光电离截面,分析辨认出了这些离子在自光电离过 关键词： 3+离子和Ne⁴⁺离子')" href="#">F³⁺离子和Ne⁴⁺离子 光电离 自电离共振 R矩阵')" href="#">R矩阵     

Complete two-electron spectra in double photoionization: the rare gases Ar,Kr, and Xe

A new spectroscopic technique, giving complete two-dimensional e(-)-e(-) coincidence spectra in single photon double photoionization, is presented. The technique resolves the states of doubly charged ions and provides spectra of the individual electrons emitted in formation of each final dication state. Complete spectra for double photoionization of Xe, Kr, and Ar at photon energies up to 51 eV have been recorded. Overall and surprisingly, the np(4) 3P, 1D, and 1S states are populated according to their statistical weights. When the evident autoionization is excluded, the supposedly favored 3P states are in fact disfavored. Detailed information on the autoionization processes is also made available.     

团簇LaO的理论研究

采用密度泛函理论研究LaO团簇体系。中性分子LaO的基态是两重态(2Σ),阴离子LaO-和阳离子LaO 的基态都是单重态(1Σ)。使用不同的方法计算团簇LaO的电子亲和能和电离能。计算结果表明用BLYP方法和弥散极化基组计算结果和实验数据吻合较好。用含时密度泛函理论计算团簇LaO的低能激发态,从理论上归属LaO-的光电子能谱的谱峰和LaO的吸收光谱的谱峰。计算得到与实验一致的结果。     

用组态相互作用理论研究He原子的非谐振光致电离

本文用组态相互作用理论研究Ｈｅ原子的非谐振光致电离。本文详细分析双重激发自电离态，考察第一电离阈值附近的非谐振谱，计算非谐振区的ｅ－Ｈｅ＋，１，３Ｐ散射位相移动及来自ｌｓｎｓ１，３Ｓ的光致电离截面，本文计算结果与实验观测值及现有的理论结果相比较，相当符合。     

Near-threshold electron-impact ionization of magnesium

The effective electron-impact ionization cross section of the magnesium atom is studied in detail in the energy range from the ionization threshold to 16 eV. A large number of particular features caused both by atomic autoionization states and by the formation and decay of a short-lived state of the negative ion of the magnesium atom are revealed. These particular features are identified using experimental and theoretical data on the photoionization (photoabsorption) and on the spectra of ejected electrons.     

Near-threshold electron-impact ionization of calcium atoms

The electron-impact ionization of calcium atoms is studied in the near-threshold energy range (from 6.11 to 16 eV). Experiments were performed by the method of intersecting electron and atomic beams with the recording of formed positive calcium ions. The electron beam (ΔE _1/2 = 0.15 eV) was formed using a hypocycloidal electron monochromator. An analysis of the specific features of ionization cross sections revealed a contribution from the excitation and decay of low-lying autoionization atomic states, which converge to the excitation thresholds of the 3d, 4p, and 5s ionic levels, and resonances (long-lived states of negative ions). The specific features of cross sections are identified using the experimental and theoretical data on photoionization (photoabsorption).     

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.     

PuN基态和低激发态的分子结构与相对论有效原子实势

用Pu的三种不同相对论有效原子实势 (RECP)和密度泛函(B3LYP)方法对PuN基态和低激发态(4Σ+、6Σ+、8Σ+、10Σ+)的分子结构进行了计算,得到了相应的平衡几何构型和谐振频率.采用最小二乘法拟合得到了PuN分子的Murell-sorbie势能函数,在此基础上推导出完整的力常数和光谱数据,并与实验值作对比.结果表明:PuN的基态为X6Σ+,其余为低激发态;在三种RECP中,对于ωe的计算,60个中心电子的SDDRECP/B3LYP给出的结果与实验值符合得比较好(如X6Σ+:ωe=840.77 cm-1,ωeχe=5.73·"cm-1,De=5.880 6 eV,Re=0.176 3 nm,Be=0.408 4 cm-1,αe=3.3E-03 cm-1).计算还给出了相应的电荷布居、自旋密度、电偶极矩和能量特征等系列分子的性质.     

用代数能量方法研究氢化物双原子分子的完全振动能谱和离解能

本文用研究双原子分子振动能谱的新方法-代数方法(AM),研究了KH-X1Σ+,RbH-X1Σ+,DF-X1Σ+和DCl-X1Σ+等四个氢化物双原子分子的电子基态的振动光谱常数和振动能谱;用代数能量方法(AEM)研究了相应电子态的分子离解能.研究结果表明:使用实验获得的少数精确的振动能级[Eυ],由AM方法得到的振动能谱不仅能够重复这些电子态的已知实验能级,还能够得到用现代实验方法或精确的量子理论方法很难得到的所有高振动激发态的能级.由AEM方法能够得到比用文献发表的振动光谱常数计算获得的离解能值更准确的分子离解能.     

Spectroscopy,decay properties and Regge trajectories of the B and B_s mesons

A Gaussian wave function is used for detailed study of the mass spectra of the B and BS mesons using a Cornell potential incorporated with a O(1/m) correction in the potential energy term and expansion of the kinetic energy term up to O p~(10) for relativistic correction of the Hamiltonian.The predicted excited states for the B and B_s mesons are in very good agreement with results obtained by experiment.We assign B_2(5747) and B_(s2()5840) as the 1~3P~2 state,B1(5721) and Bs1(5830) as the 1P_1 state,B0(5732) as the 1~3P_0 state,B_(s1)(5850) as the 1~P 1 state and B(5970) as the 2~3S_1 state.We investigate the Regge trajectories in the(J,M~2) and(nr,M~2) planes with their corresponding parameters.The branching ratios for leptonic and radiative-leptonic decays are estimated for the B and BS mesons.Our results are in good agreement with experimental observations as well as outcomes of other theoretical models.