类硼离子N^2＋的电子碰撞电离—单通道截面的共振增加

使用Ｒ－矩阵方法，在库仑－玻恩非交换近似下（ＤＣＢＮＸ）采用三态密耦图象，计算了类硼离子Ｎ２＋的电子碰撞电离截面，并给出了总的能量微分截面及分波能量微分截面。计算结果揭示了明显的Ｒｙｄｂｅｒｇ系列共振，并指出共振对截面的贡献大于直接电离过程对截面的贡献，这与Ｃｈｉｄｉｃｈｉｍｏ的结论一致。     

电子氢原子碰撞电离能量微分截面和总截面的理论计算

利用扭曲波玻恩交换（ＤＷＢＥ）近似方法对电子－氢原子碰撞电离截面进行了计算，计算所得总截面和能量微分截面均与最新的实验结果进行了比较，比较结果显示本计算与实验有较好的符合。还给出了能量微分截面的高斯拟合公式，文中对实验与理论计算存在的一些差距进行了讨论。 关键词：     

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     

中高能电子被分子的散射总截面与能量关系的研究

讨论了CO和CO2分子被电子散射的总截面与能量及其分子结构常数之间的关系, 证明了在不同的能量区间总截面与能量之间的关系不同, 但是在能量低于1 500 eV时可以利用键长、键角计算电子被分子散射总截面, 计算简便, 结果可靠, 并将CO2的结果与已有的拟合公式、实验数据进行了比较.     

在非相对论能量下介质中的核子－核子碰撞截面

在非相对论能量下，采用Ｓｋｙｒｍｅ有效相互作用，计算了在核介质中的核子－核子（Ｎ－Ｎ）碰撞截面，研究了它与能量及密度的依赖关系，以及不同Ｓｋｙｒｍｅ参数对所计算截面的影响．发现在低密度时，介质中的核子－核子碰撞截面大于经Ｐａｕｌｉ修正后的自由核子一核子碰撞截面．而当高密度时，总会在高于某一能量以后，介质中的Ｎ－Ｎ碰撞截面大于经Ｐａｕｌｉ修正后的自由Ｎ－Ｎ碰撞截面．     

100～5000eV下电子被若干分子散射的总截面

利用可加性规则，使用Hartree-Fock波函数，在100～5000eV内采用由束缚原子概念修正过的复光学势，对电子被约40个分子散射的总截面进行了计算，并将计算结果与实验结果及其它理论计算结果进行了比较。得出如下结论：①对大多数散射体系而言，仅当入射能量E≥100eV时，计算结果即与实验结果符合得较好，少数较复杂的体系，当E≥200～300eV时，也能与实验结果符合得较好。但采用未修正的复光学势进行计算，仅当E≥500～800eV时才与实验结果符合得较好，不少体系只有在E≥1000eV时才能得到较好的结果。这说明本修正是成功的；②在较高的能量下，对于同类型分子构成的散射体系，在同一能量下其总截面与分子内的总电子数成正比，且电子数越多，其线性度也就越好；③在较高能量下总截面与能量间存在QT≈aE^-b的关系。②与③相结合，可推算出一些复杂分子的总截面。     

He2+离子与H原子的重粒子碰撞电离过程

利用初态程函近似的连续扭曲波方法研究了He²⁺离子与Ｈ原子的碰撞电离过程. 计 算得到了入射离子能量从30keV/u到2000keV/u的碰撞电离总截面、随电离电子能量和角度变 化的一阶和二阶微分散射截面，及随入射离子能量变化的电离电子平均能量.计算的总电离 截面与其他理论和实验结果进行了比较，在入射离子能量大于100keV／u的能区，计算结果 与实验符合得很好；在较低的能区，各种理论结果之间有较大差别，计算结果比实验约小50 ％.利用计算的二阶微分散射截面讨论了软碰撞、电子俘获到入射离子连续态、两体相遇碰 撞等碰撞电离机理. 关键词： 重粒子碰撞电离 初态程函近似 总截面 一阶和二阶微分散射截面     

原子轨道方法研究He^2＋-He碰撞中电荷转移过程

应用双中心的原子轨道强耦合方法研究了He^2＋-He碰撞中的电荷转移过程，计算了随入射离子能量变化的单电子俘获总截面及各个次壳层的态选择截面，并与其它理论结果和实验结果进行了比较，发现我们的理论结果与实验很好的符合．针对中国科学院近代物理研究所最近的实验测量，我们也计算了电荷转移过程的微分截面．     

Si2++H碰撞过程的物理分析

文中应用经典径迹蒙特卡罗方法研究Si2+离子与氢原子碰撞过程,计算了随入射离子能量变化的电子俘获、电离总截面及电子俘获到特定末态的截面,分析了计算结果并定性解释了这些截面随能量的变化规律.     

一种不含自由参数的正电子吸收势

在准自由电子气模型的基础上得到一种不含自由参数的正电子吸收势，把它作为光学势的虚部，计算了能量在最小非弹性阀值到１００ｅＶ范围内正电子被Ｈｅ、Ｎｅ、Ａｒ原子散射的总截面和能量为２００ｅＶ和３００ｅＶ时的散射微分截面，计算结果与实验进行了比较。     

Electron impact total ionisation cross sections for simple bio-molecules: a theoretical approach

In this article, we have reported electron impact total ionisation cross sections for the bio-molecules pyridine, pyrimidine, n-propylamine, urea, formamide and N-methylformamide from ionisation threshold to 2000 eV. The present calculations are based on the spherical complex optical potential formalism and complex scattering potential ionisation contribution method. The results obtained for pyridine and pyrimidine are compared with available theoretical and experimental results and are found to be in excellent agreement with existing data. The ionisation cross sections for other molecules are reported for the first time. An interesting relation between the peak of inelastic and ionisation cross sections with target parameters is also reported. It was found that both the cross sections at their maximum depend linearly with these parameters, confirming the consistency of the values reported here.     

Electron impact ionisation cross sections for atomic and molecular allotropes of phosphorous and arsenic

We report electron impact total ionisation cross sections for phosphorous (P), arsenic (As), diphosphorous (P₂), diarsenic (As₂), tetra phosphorous (P₄) and tetra arsenic (As₄) from the threshold of the target to 2000 eV. We employed spherical complex optical potential to compute total inelastic cross sections (Q_inel). The total ionisation cross section is extracted from the total inelastic cross section using the complex scattering potential–ionisation contribution method. The results of most of the targets studied here compare well with the measurements and the theoretical data wherever available. The correlation between the peak of ionisation cross sections with the number of target electrons and polarisability is also reported. It is observed that the maximum ionisation cross sections depend linearly on the number of target electrons and polarisability of the target. This linear correlation is used to predict the maximum ionisation cross sections for the targets (I₂, HI and PF₃) where no experimental data are available.     

Scattering of e± from N2 in the energy range 1 eV–10 keV

The differential, integrated elastic, inelastic, total, momentum transfer, viscosity, and ionisation cross sections for electron and positron scattering from the homonuclear diatomic nitrogen molecule over an incident energy range of 1?eV–10?keV are calculated using the additivity rule. Dirac partial wave analysis is employed to calculate the cross sections of the constituent atoms of molecules, using a complex optical model potential (OPM). Comparison of our results of the additivity rule with the available experimental data and other theoretical predictions is presented. Our findings produce reasonable results in intermediate and high energies.     

Electron-impact total cross sections for inelastic processes for furan,tetrahydrofuran and 2,5-dimethylfuran

We report total inelastic, total ionisation and summed total excitation cross sections for electron scattering on furan, tetrahydrofuran (THF) and 2,5-dimethylfuran at energies between the ionisation threshold and 5 keV. We have employed the spherical complex optical potential formalism (SCOP) to calculate the total inelastic cross sections (Q_inel) and have used complex scattering potential-ionisation contribution (CSP-ic) method to derive total ionisation cross sections (Q_ion) and summed total excitation cross sections (∑Q_exc) from the calculated Q_inel. We have also computed Q_ion for these molecules using binary-encounter-Bethe (BEB) approach. We have compared our total cross sections (TCS) with available experimental as well as previous theoretical results and have found good agreement. The results are presented graphically as well as numerically.     

Zur formelmäßigen Darstellung der Ionisierungsquerschnitte gegenüber Elektronenstoß

An empirical analytical expression for the ionisation cross sections is given which is in very good agreement with experimentally measured cross sections, and which is able to give a large part of the ionisation curves as a function of the energy of the impacting electrons. For high electron energies the formula is in agreement with the quantum mechanical expression for the ionisation cross section (Born-Bethe-formula).     

Electron impact ionisation cross sections derived from total inelastic cross section for CF3X and CF2X2 (X = H,Cl, Br and I) molecules

We report here the total ionisation cross sections for CF₃X and CF₂X₂ (X = H, Cl, Br and I) molecules by electron impact from ionisation threshold to 5 keV. The total inelastic cross section is obtained employing a quantum mechanical approach called spherical complex optical potential formalism. Then, using a semi-empirical complex scattering potential-ionisation contribution method, the ionisation cross section is derived from the inelastic cross section. The results obtained are compared with previous measurements and theoretical values, wherever available and a satisfactorily agreement is observed. The ionisation cross section values for CF₂I₂ molecule are reported for the first time.     

Electron impact total cross section calculations for CH3SH (methanethiol) from threshold to 5 keV

We report calculated total elastic cross sections Q_el, total ionisation cross sections, Q_ion, summed total excitation cross sections ∑Q_exc and total cross sections Q_T for CH₃SH upon electron impact for energies from ionisation threshold to 5 keV. We have employed Spherical Complex Optical Potential (SCOP) formalism to calculate total elastic cross section Q_el, and total inelastic cross section Q_inel and used Complex Scattering Potential – the ionisation contribution (CSP-ic) method to extract the ionisation cross sections, Q_ion, from the calculated Q_inel. The calculated total cross sections are examined as functions of incident electron energy and are compared with available data wherever possible and overall good agreement is observed. In this work Q_el, Q_ion, and ∑Q_exc are reported for the first time for CH₃SH in this energy range.     

Electron-induced scattering dynamics of Boron,Aluminium and Gallium trihalides in the intermediate energy domain

This article is focused on the calculation of electron-induced ionisation and total scattering cross sections by Boron, Aluminium and Gallium trihalide molecules in the intermediate energy domain. The computational formalism, spherical complex optical potential has been employed for the study of these two scattering cross sections. The ionisation cross section has been derived from the inelastic cross section using a semi-empirical method called complex scattering potential-ionisation contribution (CSP-ic) method. We have also calculated the ionisation cross section using the BEB theory with Hartree–Fock and density functional theory (DFT- ωB97XD) orbitals so that a comparison can be made with the cross sections predicted by CSP-ic method. For this theoretical study, we have also calculated polarisability and bond length of some targets which were not found in literature using DFT/B3LYP in Gaussian 09 software.     

Ionisation of noble gases by positron impact

The positron induced absolute single and double ionisation cross sections for the noble gases Ar, Kr and Xe have been determined in the energy region from below threshold to ∼1000 eV. With the use of an admixture of He to the target gas normalisation was performed by comparison to known single ionisation cross sections for He. Special interest has been taken in the energy gap of 6.8 eV below the direct double ionisation threshold energy, where only double ionisation with positronium formation is possible. This has been done to study the significance of double ionisation with Ps formation for the heavy noble gases. This revised version was published online in August 2006 with corrections to the Cover Date.     

Inelastic cross sections for pentane isomers by positron impact

ABSTRACT

This work aims at the calculation of various inelastic cross sections for three pentane isomers, namely normal pentane, isopentane and neopentane. The direct ionisation, positronium formation, total ionisation and total inelastic cross section are reported for these targets using modified spherical complex optical potential (mSCOP) and complex scattering potential-ionisation contribution (CSP-ic) method. The cross sections are computed for a wide energy range from their respective thresholds to 5?keV. We have also attempted to probe the isomeric effect in the inelastic scattering of positrons from the pentane isomers. The cross sections for the three isomers were found to overlap for the entire comparative energy range except at the peak region. Hence, in general no appreciable isomeric effect was beheld for the pentane isomers.