Post-collision interactions and the polarization effect in （e, 2e） collisions of helium

A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (1s2) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.     

光学势在(e, 2e)反应动力学过程的作用

将光学势包含到畸变波Bohn近似(DWBA)方法的畸变势中,修正了DWBA理论.计算了共面高非对称动力学条件下Ar原子2p壳层的三重微分截面,并与标准的DWBA计算得到的结果进行了比较.计算结果表明,光学势在Ar (2p)的电离过程中起着重要的作用. 关键词： 光学势 畸变波Bohn近似 三重微分截面     

Theoretical calculation of triple differential cross sections of 3s orbital of argon in coplanar symmetric （e, 2e） reaction

The triple differential cross section for the low-energy electron impact ionization of inner-valence 3s orbital of argon has been calculated using the modified distorted wave Born approximation in coplanar symmetric energy-sharing geometry. Satisfactory agreement between theory and experiraent is achieved when the polarization and post-collisional interaction (PCI) are included in the calculations. It is shown that the polarization and PCI effects play a very important role in the case of argon at low incident energies.     

Xe(4d~(10))(e,2e)反应三重微分截面的理论研究

采用修正后的扭曲波玻恩近似理论,计算了共面不对称几何条件下Xe(4d~(10))(e,2e)反应的三重微分截面.散射电子能量为1000 eV,敲出电子能量为20 eV,散射电子角度分别固定在2°,4°和7.5°.理论计算与Avaldi等人的实验结果和扭曲波玻恩近似理论计算进行了比较,发现出射电子之间的后碰撞相互作用较弱,极化效应在反应过程中起着重要作用.     

Theoretical calculation of the triple differential cross sections of the 2p orbital of argon in a coplanar highly asymmetric（e,2e） reaction

The triple differential cross sections of the 2p electron of argon in a coplanar highly asymmetric geometry have been calculated with the modified distorted wave Born approximation (DWBA) and the target Hartree－Fock approximation methods. The damping polarization of the semi-classical short-range potentials and the M_ee factor are included in the distorting potentials of the modified DWBA. Theoretical results are compared with a recent experiment. The dynamic mechanism of inner shell ionization in a coplanar highly asymmetric geometry (e, 2e) reaction are also discussed.     

Triple differential cross section in (e, 2e) collisions for sodium in a coplanar symmetric geometry

The triple differential cross sections for (e, 2e) ionization of sodium in a coplanar symmetric geometry have been studied in distorted wave Born approximation with the modified semiclassical exchange potential. The present calculations improve the agreement between the theoretical and experimental results. The post-collision interaction and target polarization effects have also been studied. In addition, the variation trends of the shape and ratio for the forward and backward scattering peaks have been discussed. Besides, the small bump observed between these two peaks has been analyzed by the interaction between active electron and passive electrons.     

(e, 2e) triple differential cross section for ionization-excitation of helium

Simultaneous ionization and excitation of helium by electron impact is considered in an improved second Born approximation. The wave function of the low energy ejected electron is obtained in the field of residual He⁺ ion in 2s-state. The calculation has been done for the processe ⁻+He→e ⁻+He⁺(2s)+e ⁻ in the coplanar asymmetric geometry with Hartree-Fock wave function of Byron and Joachain for the helium ground state and the results are compared with the absolute experimental data of Dupreet al [J. Phys. B25, 259 (1992)] at ∼ 5.5 keV incident energy. Our results are found to increase the ratio of the recoil peak to binary peak intensity by about 30% over the first Born results and thus to bring it closer to the experimental data.     

The (e, 2e) triple differential cross sections of Cu+ (3p) in coplanar asymmetric geometry

The three-body distorted-wave Born approximation has been used to calculate the (e,2e) triple differential cross sections (TDCSs) of Cu+ (3p) in different kinematical variables in coplanar asymmetric geometry.The angles 4,10 and 20 were selected as the scattering electron angles.Under high incident energy (≥ 500 eV) and high asymmetric detection energy,the binary peaks showed abnormal splits.Such abnormal splits have not been observed in atomic target and outer valence orbitals of ionic target,which indicates that an (e,2e) process for inner valence orbitals of ionic target would be more complicated than outer valence orbitals.Furthermore,some pronounced peaks appeared at certain ejected angles.We considered that these pronounced peaks are probably related to one kind of double-binary collision.     

(e,2e)反应中冲量近似的理论研究

利用冲量近似理论和玻恩近似方法, 以氢原子(1s)为例, 在共面不对称几何条件下用多种模型分别计算了若干入射能、 散射角情形下电子碰撞电离(e, 2e) 反应的三重微分散射截面. 与其他的理论方法和实验数据进行了比较, 分析了曲线结构差异及原因, 对其适用范围进行了研究, 并探讨了交换效应的贡献, 验证了早期的研究. 关键词： 扭曲波冲量近似 平面波冲量近似 三重微分截面     

电子碰撞原子(e,2e)反应的复极化势

研究包括连续通道等非处理通道的复极化势对(e,2e)碰撞过程三重微分截面的影响,即将耦合通道光学势方法得到的复极化势附加到畸变波玻恩近似方法的畸变势中,在靶态的HF近似下,计算了Ar原子和Ne原子在非共面对称几何条件下(e,2e)反应的三重微分截面.对于较高的入射能量,在实验的误差范围内,计算结果与电子动量谱的实验数据符合较好,复极化势的影响很小;对于较低的入射能量,复极化势的作用明显增大. 关键词： 复极化势 (e;2e)反应 三重微分截面 电子动量谱     

共面不对称条件下Ag+(4p,4d)(e,2e)反应三重微分截面的理论研究

采用扭曲波玻恩近似(DWBA)理论计算了共面不对称几何条件下Ag⁺(4p⁶) 及Ag⁺(4d¹⁰)在不同入射电子能量和散射电子角度下(e,2e)反应的三重微分截面. 散射电子角度为4°, 10°和20°. 计算结果表明, Ag⁺(4p⁶)(e,2e)反应的三重微分截面其binary峰峰位或劈裂峰的谷位与动量转移方向有较大差别, 这可能是由于一种两次两体碰撞造成的. 另外, 还发现Ag⁺(4p⁶)(e,2e)反应三重微分截面的binary峰出现了反常劈裂现象, 这表明离子靶内壳层电离(e,2e)反应过程较外壳层更为复杂.对Ag⁺(4p⁶)及Ag⁺(4d¹⁰), 除binary峰和recoil峰以外, 在其他敲出电子角度出现了新的峰, 本文用几种两次两体碰撞过程对这些新的峰进行了解释.     

氢化铁的自旋极化效应及势能函数

B3LYP/6-311++g**水平上预测了FeH2及FeH稳定构型讨论了其自旋极化效应,并与实验结果进行了比较.结果表明其基态分别为FeH2(5A1)和FeH(4?),自旋态对构型和物理性质均有显著影响.FeH2具有C2v对称性.势能与核间距的关系用4参数Murrell-Sorbie函数进行拟合得到其分析势能函数.由此推导出力常数和光谱数据,并由多体项展式理论导出了基态FeH2分子的分析势能函数.用这个分析势能函数分析表明:H+FeH生成FeH2(C2v)分子通道存在一个4.68 eV深的势阱,易生成H—Fe—H络合物分子.反应Fe+H2→HFeH,?H=-0.08305 eV,是放热反应.     

电子碰撞Ne和类Ne离子电离的三重微分截面理论研究

采用扭曲波玻恩近似理论计算了共面对称几何条件下类Ne离子2p轨道电子在不同出射电子能量下的(e,2e)反应三重微分截面,出射电子能量分别为3,5,7.5,10,15,20,30和50 eV.计算结果表明,随着出射电子能量的增大和核电荷数Z的增大,三重微分截面的幅度逐渐减小.除Ne以外,对其他离子,在出射电子角度为150?附近出现了一个新的结构,对比不同出射电子能量时的(e,2e)反应三重微分截面,发现这个结构的幅度随着出射电子的能量先增大后减小,文中用一种两次两体碰撞过程对这些现象进行了解释.     

Second-order Born calculation of coplanar symmetric(e, 2e) process on Mg

The second-order distorted wave Born aPl6roximation （DWBA） method is employed to investigate the triple differen- tial cross sections （TDCS） of coplanar doubly symmetric （e, 2e） collisions for magnesium at excess energies of 6 eV-20 eV. Comparing with the standard first-order DWBA calculations, the inclusion of the second-order Born term in the scattering amplitude improves the degree of agreement with experiments, especially for backward scattering region of TDCS. This indicates that the present second-order Born term is capable to give a reasonable correction to DWBA model in studying coplanar symmetric （e, 2e） problems of two-valence-electron target in low energy range.     

（e, 2e） triple-differential cross sections for Ag＋（4p, 4s） in coplanar symmetric geometry

The (e, 2e) triple-differential cross sections of Ag + (4p, 4s) are calculated based on the three-body distorted-wave Born approximation considering post-collision interaction in coplanar symmetric geometry. The energy of the outgoing electron is set to be 50, 70, 100, 200, 300, 500, 700, and 1000 eV, and the intensity and splitting of forward and backward peaks are discussed in detail. Some new structures are observed around 15° and 85° for 4p and 4s orbitals. Structures in triple-differential cross sections at 15° are reported for the first time. A double-binary collision is proposed to explain the formation of such structures. The structures at 85° are also considered as the result of one kind of double-binary collision.     

共面双对称几何条件下Ne原子(e,2e)反应的三重微分截面

利用标准一阶扭曲波玻恩近似方法(DWBA)计算了共面双对称几何条件下不同能量电子碰撞电离Ne原子的三重微分截面(TDCS),与Nixon和Murray[1]最新的实验测量数据进行比较.当入射电子能量较低时,理论计算结果和实验数据符合较差;而随着入射电子能量的增加,符合程度逐渐改善.     

共面双对称几何条件下Ne原子(e,2e)反应的三重微分截面

利用标准一阶扭曲波玻恩近似方法（DWBA）计算了共面双对称几何条件下不同能量电子碰撞电离Ne原子的三重微分截面(TDCS),与Nixon和Murray 最新的实验测量数据进行比较.当入射电子能量较低时,理论计算结果和实验数据符合较差;随着入射电子能量的增加,而符合程度逐渐改善.     

低能He-H2(D2,T2)碰撞分波截面计算

采用Tang Toennes势模型 ,当入射氦原子能量是E =0 .0 5eV时 ,计算了He -H2 (D2 ,T2 )弹性分波截面和非弹性激发分波截面随量子数的变化。     

理论计算电子碰撞氢分子(e,2e)反应的三重微分截面

通过发展的分子畸变波玻恩近似（MDWBA）方法,把坐标空间的分子多中心问题转化为动量空间的单中心问题,入射电子、散射电子以及被电离电子的波函数都使用了畸变波表象,经过求解动量空间Lippmann-Schwinger方程获得电子的畸变波函数。应用MDWBA方法计算了共面非对称动力学条件下入射能量为100eV 的电子碰撞氢分子（e,2e）反应的三重散射微分截面,并与其它理论和实验结果进行了比较。MDWBA方法的计算结果与实验结果符合的很好。