Positron scattering from hydrocarbons

The total cross sections for positron impact on hydrocarbons have been calculated using the additivity rule in which the total cross section for a molecule is the sum of the total cross section for the constituent atoms. The energy range considered is from a few eV to several thousand eV. The total cross sections for positron impact on an atom are calculated by employing a complex spherical potential which comprises of a static, polarization and an absorption potential. We have good agreement with the experimental results for hydrocarbons for positron energy ⩾100 eV. Our results also agree with the available calculations for CH₄ and C₂H₂ which employed full molecular wavefunctions beyond 100 eV. Our absorption cross sections also agree with molecular wave-function calculations for C₂H₂ and CH₄ beyond 100 eV. We have shown the Bethe plots fore ⁺−C ande ⁺−H scattering systems and Bethe parameters have been extracted. We have fitted the cross section for positron impact on hydrocarbons in the formσ _t(C _n H _m )=naE ⁻ b+mcE ⁻ d in the energy range 300–5000 eV wherea=195.0543,b=0.7986,c=371.1757 andd=1.1379 withE in eV andσ _t in 10⁻¹⁶ cm².     

Total electron scattering cross-sections for O atoms: O2 and O3 molecules

Total (elastic+inelastic) cross sections fore ⁻-O,e ⁻-O₂ ande ⁻-O₃ scattering have been calculated at sample energies between 100 and 1000eV. The basice ⁻-O atom scattering amplitudes are obtained from the partial wave analysis with a complex optical potential. Thee ⁻-O₂ ande ⁻-O₃ cross-sections are obtained through the independent atom model. Oure ⁻-O₂ cross-sections reproduce the experimental data quite well. Adequate comparisons are made in all the three cases.     

Molecular constants of LiCl(X~1Σ~+) and elastic collisions of two ground-state Cl and Li atoms at low and ultralow temperatures

Interaction potentials for LiCl(X 1 Σ +) are constructed by the highly accurate valence internally contracted mul-tireference configuration interaction in combination with a number of large correlation-consistent basis sets,which are used to determine the spectroscopic parameters (D 0,D e,R e,ω e,ω e χ e,B e and α e).The potentials obtained at the basis sets,i.e.,aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li,are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0×10 12 to 1.0×10 4 a.u.The derived total elastic cross sections are very large and almost constant at ultralow temperatures,and their shapes are mainly dominated by the s-partial wave at very low impact energies.Only one shape resonance can be found in the total elastic cross sections over the present collision energy regime,which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves.Abundant resonances exist for the elastic partial-wave cross sections until l=22 partial waves.The vibrational manifolds of the LiCl(X 1 Σ +) molecule,which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl,should achieve much high accuracy due to the employment of the large correlation-consistent basis sets.     

Positron scattering and ionization of neon atoms—theoretical investigations

Although positron scattering with inert gas atoms has been studied in theory as well as in experiment, there are discrepancies. The present work reports all the major total cross sections of e+-neon scattering at incident energies above ionization threshold, originating from a complex potential formalism. Elastic and cumulative inelastic scatterings are treated in the complex spherical e+-atom potential. Our total inelastic cross section includes positronium formation together with ionization and excitation channels in Ne. Because of the Ps formation channel it is difficult to separate out ionization cross sections from the total inelastic cross sections. An approximate method similar to electron-atom scattering has been applied to bifurcate ionization and cumulative excitation cross sections at energies from threshold to 2000 eV. Comparisons of present results with available data are made. An important outcome of this work is the relative contribution of different scattering processes, which we have shown by a bar-chart at the ionization peak.     

基态S和D原子的低能弹性碰撞及SD(X2Π)自由基的准确相互作用势与分子常数

使用Gaussian03程序包提供的CCSD（T）理论及Duning等的相关一致基cc-pVnZ和aug-cc-pVnZ （n=2, 3, 4, 5）, 对SD（X²Π）自由基的平衡核间距、谐振频率及相互作用势进行了计算, 并拟合出了相应的光谱常数. 在CCSD（T）/aug-cc-pV5Z理论水平下, 光谱常数D₀, D_e, R 关键词： 弹性碰撞 总截面 光谱常数 分子常数     

基态O和D原子的低能弹性碰撞及OD（X2Π）自由基的准确解析势与分子常数

利用CCSD（T）理论及相关一致五重基aug-cc-pV5Z构建了OD（X²Π）自由基的相互作用势, 计算了这个自由基的光谱常数D₀, D_e, R_e, ω_e, ω_eχe及B_e, 其值分别为44574,46225?eV,009702 nm, 2724923,453534和100096 cm^-1, 均与实验结果相符很好. 利用这一相互作用势, 在绝热近似下通过数值求解双原子分子核运动的径向薛定谔方程, 找到了J=0时OD（X²Π）自由基存在的全部23个振动态, 完整地求出了每一振动态的振动能级、振动经典转折点、惯性转动常数和离心畸变常数, 其值与实验结果相当一致. 在10×10^-11—10×10^-3a.u.的能量范围内研究了基态O和D原子沿OD（X²Π）势能曲线的弹性碰撞, 计算了这一碰撞的总截面和各分波截面, 分析了各分波截面对总截面的不同贡献. 结果表明: 总截面的形状主要由s分波截面决定, 尽管直到l = 12的其他分波截面均有形状共振存在, 但由于其强度较弱, 大都湮没在较强的s分波截面中. 关键词： 弹性碰撞 总截面 形状共振 光谱常数     

Application of R-matrix method to electron-H<Subscript>2</Subscript>S collisions in the low energy range

Electron-H₂S collision process is studied using the R-matrix method. Nine low-lying states of H₂S molecule are considered in the R-matrix formalism to obtain elastic integral, differential, momentum transfer and excitation cross sections for this scattering system. We have represented our target states using configuration interaction (CI) wavefunctions. We obtained adequate representation of vertical spectrum of the target states included in the scattering calculations. The cross sections are compared with the experiment and other theoretical results. We have obtained good agreement for elastic and momentum transfer cross sections with experiment for entire energy range considered. The differential cross sections are in excellent agreement with experiment in the range 3–15 eV. A prominent feature of this calculation is the detection of a shape resonance in ²B₂ symmetry which decays via dissociative electron attachment (DEA). Born correction is applied for the elastic and dipole allowed transition to account for higher partial waves excluded in the R-matrix calculation. The electron energy range is 0.025–15 eV.     

A calculation for the scattering of low-energy positrons by Helium atoms

A variational calculation has been performed for the elastic e⁺-He scattering at energies below 16 eV. Partial waves up toL=3 are included. The trial functions contain distortions which take into account virtual positronium formation. The results of the calculation show good agreement with experimental cross section data.     

Direct neutron scattering from 182W and 184W

Differential elastic and inelastic neutron scattering cross sections for ¹⁸²W and ¹⁸⁴W have been measured at incident energies 4.87 and 6.00 MeV. Cross sections for the first (0⁺, 2⁺, 4⁺, 6⁺), second (0⁺, 2⁺), and some higher excitations are presented. Angular distributions exhibit direct reaction characteristics, suggesting that compound cross sections for these states are small. This is supported by statistical-model calculations. Coupled-channel calculations of cross sections are made using a phenomenological deformed optical potential. Quadrupole and hexadecapole deformations have been searched to optimize fits. The necessity of introducing a β₆ deformation is investigated. Electric multipole transition matrix elements, used in the coupled-channel analysis, are obtained from the rotation-vibration model and the dynamic-deformation theory.     

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.     

Electroweak radiative corrections toe + e −→HZ

The cross section fore ⁺ e ^–HZ with arbitrary lepton andZ-boson polarizations is calculated within the electroweak standard model including the completeO() virtual and soft photonic corrections. These were obtained using the computer-algebra packagesFeynArts andFeynCalc. We list the relevant analytical results and discuss the influence of the weak radiative corrections on the unpolarized as well as the polarized cross sections. For LEP200 energies the weak radiative corrections amount to several per cent. For higher energies the corrections are usually of the same order for the total unpolarized cross section. However, for large values of the Higgs mass or for the suppressed cross section of transversely polarizedZ-bosons they reach +30% and –40%, respectively. The differential cross section in the forward and backward directions gets even larger corrections for high energies, where the box diagrams constitute the dominant part of the radiative corrections.     

Momentum-space calculation of electron-CO elastic collision

We report a momentum-space study on low-energy electron-CO collisions.Elastic differential cross sections(DCS) are obtained using a static-exchange-optical(SEO) model for the incident energies of 2,3,5,and 10 eV.Polarization effect of higher reaction channels,including the ionization continuum,on the elastic collision is represented by an ab initio equivalent-local optical potential.The cross sections are compared with experimental measurements and other theoretical results.     

Sum rules fore + e − annihilation in general electroweak mixing models and extended gauge theories

We derive a lower bound for the integrated cross section for production of weak neutral bosons ine ⁺ e ^? annihilation within general electroweak theories containing an arbitrary number of weak bosons. The low energy parameterC of such theories is expressed in terms of integrals over the weighted cross section fore ⁺ e ^? annihilation at high energies.     

Correlation-polarization effects in electron-atom scattering

The correlation-polarization (CP) model-potential, given by O’Connell and Lane (1983) as well as Padial and Norcross (1984) is examined for the elastic scattering of electrons by oxygen atoms, at intermediate energies. The correlation potential is found to be stronger than necessary at low energies. Two model polarization potentials based on the CP model, are suggested and employed to thee ⁻ — O scattering at 8.7, 30, 50 and 100 eV energies. The calculated total cross-sections agree in general with the other data at these energies.     

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.     

Large logarithm behaviour ofe + e − jet cross sections and event shape distributions inO(α s 2 )

We have calculated the leading and next-to-leading logarithm coefficients ofO(α _s ² )e ⁺ e ^? annihilation jet cross sections, thrust distribution and energy-energy correlation in the two-jet limit when the jet resolution and the event shape variables vanish. We have compared our results with expectations based on leading logarithm approximations used to resum the pertubative cross sections where this is possible. There is good agreement for the leading and next-to-leading coefficients of jet cross sections in the Durham scheme. Also for the thrust distribution and energy-energy correlation we find results which are consistent with the leading logarithm predictions.     

Tests of QED and elektroweak theories at PETRA

We review experimental results from PETRA on the reactions:e ⁺ e ^?→e ⁺ e ^?, μ⁺ μ^?, τ⁺ τ^?, and γγ at centre-of-mass energies up to 36.7 GeV. The data are compared with the predictions of quantum electrodynamics and electroweak theories. The implication of the total cross section measurements fore ⁺ e ^?→q \(\bar q\) →hadrons with respect to the weak mixing angle is discussed.     

Elastic scattering of electrons from water molecule

This paper uses the momentum--space optical potential method to calculate the e--H₂O scattering elastic cross sections at the energy range from 6 eV to 50 eV, and the differential cross sections in the angle from 0° to 180° at 40 eV and 50 eV. The polarisation is taken into account via an emphab initio equivalent-local potential. The cross sections are compared with experimental measurements and other theoretical calculations.     

Schwingungsanregung von H2-Molekülen durch Zentralstoß mit Li+-Ionen

An apparatus is described for measuring the inelastic differential cross section for vibrational excitation in collisions of diatomic molecules with monoenergetic ions at laboratory energies between 10 and 50 eV. The method consists of measuring the time of flight of single ions with a time amplitude converter and displaying the results on a 100 channel pulse height analyzer. From the shift in the time of flight relative to that expected for elastic scattering the final state of the molecule excited in a single collision is identified. By studying only central collisions with almost zero impact parameter rotational excitation is strongly suppressed. Measured times of flight after collisions of monoenergetic Li⁺ ions with H₂ show that with increasing energy the most probable vibrational quantum jump increases from 0→1 to 0→2,0→3 etc. Contrary to the usual assumption of a small steric factor for vibrational excitation the results show that the inelastic cross section is larger than the elastic cross section. Using reported potential parameters the energy dependence of the most probable excited state is compared with the calculations of Secrest and Johnson for a one-dimensional collinear collision. The satisfactory agreement suggests that the steric factor is close to 1. From measurements at different scattering angles at 10 eV the integral inelastic cross section is found to be about 0.2 Ų corresponding to a differential cross section of 0.4 Ų/sr. Measured values of integral and differential total cross sections for Li⁺-He andLi⁺-H₂ are reported and compared with theory. Direct dissociation of D₂ by Li⁺ in the energy range from 25 to 55 eV was not observed, yielding an upper limit for the cross section of 4 · 10^?4 Ų/sr.     

A measurement of collinear and nearly collinear photon pairs produced by e+e− annihilation at the 3100 MeV resonance

We have measured collinear and nearly collinear photon pairs from e⁺e^? annihilation at total energies covering the resonance at 3100 MeV. The observed cross section is in good agreement with the e⁺e^? → γγ cross section expected from quantum electrodynamics. Upper limits for the decay modes (3100) → γγ, π^Oγ and other modes are derived.