A fixed-nuclei,ab initio treatment of low-energy electron-H2O scattering

We report the results of a theoretical study of low-energy electron-H₂O scattering. The calculations employ the complex Kohn variational technique and are undertaken at both the static-exchange and polarized-SCF levels. Target polarization effects are included by using an ab initio optical potential. Particular attention is paid to the complications attending electron scattering from target molecules that possess a permanent dipole moment. We describe the steps necessary to extract meaningful differential cross sections from fixed-nuclei calculations that ignore the rotational motion of the target. Comparison is made with experiment as well as other recent theoretical treatments.     

Elastic scattering of low and intermediate-energy electrons by Kr and Xe atoms

The many-body correlation forces, which act between the impinging electron and the bound electrons of the two heaviest rare gas atoms, are treated here using a newly developed correlation-polarisation potential that originates from the calculation of correlation energies in electronic bound-states of atoms and molecules. The new formulation of such forces, already tested by us for the lighter atomic targets, is particularly effective for the present systems and can be implemented very easily even for heavy atomic targets. The calculations reported in this paper show clearly that very good accord is obtained with more sophisticated theoretical treatments and with several experimental data on integral cross sections, momentum transfer cross sections and angular distributions.Von Humboldt — Prize Awardee 1992     

Low-energy electron scattering by methane,arsine and phosphine

We present cross sections for the elastic scattering of low-energy electrons by phosphine (PH₃) and arsine (AsH₃), and for electron-impact excitation of the (1t ₂ 3sa ₁)³ T ₂ and¹ T ₂ states in methane (CH₄). These results were calculated using the Schwinger multichannel method as implemented on distributed-memory parallel computers. The PH₃ and AsH₃ cross sections show a pronounced low-energy shape resonance which may provide a pathway to dissociative attachment. The^1,3 T ₂ cross sections for CH₄ correlate fairly well with recent measurements of CH₂ production via electron-impact dissociation of methane.Contribution No. 8587     

Formation of negative ions by electron impact on SiF4 and CF4

First measurements of cross sections for the formation of negative ions by electron attachment to SiF₄ and CF₄ are reported for an electron impact energy range of 0 to 50 eV. The energies at which the various ions appear and the positions at which the ionization efficiency curves peak have been obtained and compared with previous measurements. Thermochemical data have been used to predict and identify the various channels of dissociation. Cross sections for the production of ion pairs through the process of polar dissociation have also been measured.Visiting fellow, on leave of absence from Universidade Federal de Sao Carlos, Departamento de Quimica, 13560, Sao Carlos, SP, Brazil     

A quasielastic scattering approximation for target ionisation by heavy structured projectiles

A modification of the impulse approximation for capture to continuum is used to describe the ejection of loosely bound target electrons by heavy ions. In contrast to the currently applied elastic scattering models based on the binary encounter approximation, the present model treats only the short-range part of the ionic field within the elastic scattering theory, but uses the more sophisticated impulse approximation for the Coulomb tail of the interaction potential. Calculations have been performed for B ^q+, Fe ^q+, Au ^q+ and U ^q+ colliding with helium at energies between 0.5 and 6 MeV/amu. The comparison with absolute experimental spectra shows that theory works well for light projectiles, being able to describe the intensity and its variations with ionic chargeq _ion in the binary encounter peak region. For very heavy low-energy projectile ions the intensity is, however, seriously under-predicted at small emission angles, indicating a breakdown of perturbative treatments.     

Relativistic effects in low-energy spin-dependent electron collisions with rare-gas atoms

The relativistic effects in low-energy spin-dependent electron scattering from rare-gas atoms Ar, Kr and Xe are analyzed by comparing the results obtained respectively with Dirac-Fock, Cowan's quasirelativistic Hartree-Fock and non-relativistic Hartree-Fock wave functions for target atoms. It is shown that the intra-target relativistic effects, in particular the explicit spin dependences of the one-electron orbitals of Dirac-Fock atomic wave function, create apparet quantitative changes in the spin polarization parameters at some collision energies and scattering angles.     

Laser induced recombination to excited states of hydrogen-like ions

We investigate the laser induced recombination of electrons to excited states of hydrogen-like ions. The time integration and averaging over incidente ^– energies are performed analytically for a model Hamiltonian, which takes into account the degeneracy of the states and possible resonant transitions to lower lying states. The range of validity of the model assumptions is determined by comparison with numerical calculations using the exact Hamiltonian. For an arrangement of merged laser, ion and electron beams we calculated the recombination yields as a function of the laser pulse energy to then=5 to 20 states of hydrogen like ions with nuclear charges fromZ=1 to 4.     

Radiation amplification through autoionizing resonances formed by laser assisted dielectronic recombination in He

We present a theoretical model and calculation for the production of autoionizing resonances through laser assisted dielectronic recombination process in He, and its possible application to radiation amplification of UV light.     

Elastic electron scattering from state-selected molecules

Electronically elastic, electron scattering cross sections are calculated for molecules in particular rotational states in order to establish the sensitivity of the scattering pattern to the quantum state. For the examples of diatomic molecules and symmetric tops considered here, the scattering pattern provides a unique fingerprint of the quantum state if one measures the scattered intensity for different orientations of the scattering vectors. The structure in the scattered intensity reflects the anisotropy of the square of the rotational wavefunction. Even for low angular momentum states which have diffuse rotational wavefunctions, very large differences in intensity are the result at certain scattering angles for states whose quantum numbers differ even by only one unit.     

A method for measuring cross sections for electron-impact excitation out of metastable levels of atoms

A method for measuring cross sections for electron-impact excitation out of the metastable levels of the He atom is described. A hollow cathode discharge is used to produce an atomic beam consisting of ground-level He atoms and the He(2¹S) and He(2³S) metastable atoms. An electron beam of energy below 20 eV crosses the atomic beam exciting the metastable atoms to higher levels, and the intensity of the radiation emitted by atoms in these higher levels is utilized to determine the cross sections. Because of the very low concentration of metastable atoms in the atomic beam, the emission signal is extremely weak. A number of special techniques have been developed to detect these very low-level signals. Absolute calibration of the cross section is accomplished by referencing the emission signal that resulted from electron excitation out of the metastable level to the emission signal that resulted from the 2³S3³P or 2¹S3¹P laser optical absorption.     

Collisional process involving atomic cluster ions

Collision of Ar cluster ions, Ar _n ⁺ (n=3–16), with He and Ne atoms was investigated by use of mass spectroscopic techniques. The cross sections for the production of Ar _n ⁺ (nn) were measured as functions of the size of the parent cluster ion and the collision energy (0.1–10 eV in the center-of-mass frame). These results were analyzed in the scheme of hard-sphere spectator collision with RRK theory. It was concluded that the reaction proceeds via collisional excitation of the parent cluster ion and following sequential loss of the constituent Ar atoms.This paper was originally submitted in connection with the 2nd. Int. Conference on Atomic and Nuclear Clusters held in Santorini from 28. June-2. July 1993 and is published here as a regular article after an independent refereeing procedure according to the standards of Z. Phys. D     

X-rays from radiative electron capture of highly-charged heavy ions in an electron cooler

The x-ray spectra induced by spontaneous capture of free cooling electrons into bare and hydrogenlike heavy ions have been observed. Au⁷⁸⁺, Au⁷⁹⁺ and U⁹¹⁺ ions were stored in the storage ring ESR at velocities between 60% and 65% of the velocity of light and the x rays were measured in coincidence with stored particles having captured one electron in the electron cooler. The lines observed can be attributed to the direct transition of cooling electrons into theK shell of the projectile and to the characteristicL K transitions. The latter are mainly induced by capture into higher shells and subsequent cascade transitions. The measurements are compared to detailed calculations within the framework of presently available theories. Although the relative structure of the measured spectra is in fair agreement with the theoretical prediction, the total charge-changing rate in the electron cooler is about a factor of three smaller than expected.     

A model for thermal spin relaxation in rotating ferromagnetic clusters

A model for thermal spin relaxation in isolated ferromagnetic clusters is proposed and investigated theoretically by means of nonequilibrium thermodynamics. It is shown that thermal agitation mediates relaxation of the spin towards the total angular momentum vector of the cluster so that the clusters are magnetically polarized in the direction of their rotational axis. A relaxation mechanism via thermal moment of inertia fluctuations is proposed. The results are discussed for a Fe₁₂₅-cluster.     

Further studies of the continuous UV emission produced by electron impact on CF4

The intense continuous UV emission which extends from 200 nm to beyond 500 nm produced by electron impact on carbontetrafluoride, CF₄, has been investigated in a crossed electron-beam — gas-beam apparatus as well as in a gas-target apparatus under single collision conditions with special emphasis on the regime of impact energies below 50 eV. Systematic measurements of excitation functions (relative emission cross sections) at various wavelengths between 225 nm and 420 nm revealed the same onset of 23.5±2 eV and the same energy dependence for all excitation functions independent of the selected wavelength indicating that the continuous emission consists of a single fluorescence contribution. Evidence of a second onset around 40 eV, roughly 16 eV above the first onset which is an energy close to the ionization energy of atomic fluorine (17.4 eV), was found — more or less prominent — in all excitation functions. The presence of the second onset lends strong support to the assignment of the excited (CF ₃ ⁺ )* fragment ion as the emitting source of the emission continuum. We identify the lower onset at 23.5 eV with the electron-impact induced breakup of the parent CF₄ molecule into an excited (CF ₃ ⁺ )* ion and a ground state fluorine atom (neutral channel), whereas the second onset around 40 eV indicates the presence of an ionic fragmentation channel in which an excited (CF ₃ ⁺ )* fragment ion is produced together with a fluorine ion, F⁺. Wavelength scans taken at impact energies above and below the second onset revealed no significant difference in the envelope of the observed emission continuum which further supports the notion that the emission continuum consists of a single fluorescence contribution.     

Comment on ionisation of the first excited state of hydrogen by ion impact using the continuum distorted wave eikonal initial state approximation

The continuum distorted wave eikonal initial state (CDWEIS) approximation is used to study the ionisation of hydrogen in it's first excited state by proton and antiproton impact in the energy range 10–1000 keV. The total cross sections presented are found to be in disagreement with similar CDWEIS calculations by Fainstein, Ponce and Rivarola [6]. It is concluded that Fainstein et al. have erroneously included a constant multiplicative factor (of 2) in their calculations.     

Absolute partial and total electron impact ionization cross sections for C3H8 from threshold up to 950 eV

Electron impact ionization of propane (C₃H₈) was studied using the ion beam deflection technique and a double focussing mass spectrometer in conjunction with a recently developed correction procedure that accounts for discrimination due to the initial kinetic energy of fragment ions. The relative corrected partial ionization cross sections for the production of C₃H ₈ ⁺ , C₃H ₇ ⁺ , C₃H ₆ ⁺ , C₃H ₅ ⁺ , C₃H ₄ ⁺ , C₃H ₃ ⁺ , C₃H ₂ ⁺ , C₃H⁺, C ₃ ⁺ ; C₂H ₅ ⁺ , C₂H ₄ ⁺ , C₂H ₃ ⁺ , C₂H ₂ ⁺ , C₂H⁺, C ₂ ⁺ ; CH ₃ ⁺ , CH ₂ ⁺ , CH⁺, C⁺; C₃H ₅ ²⁺ , C₃H ₄ ²⁺ , C₃H ₃ ²⁺ and C₃H ₂ ²⁺ were determined from threshold up to 950 eV. Absolute partial ionization cross sections were obtained by charge weighted summing of all the observed partial ionization cross sections and by normalizing to a recent accurate determination of the total ionization cross section at 100 eV by Djuric et al. 1991. The absolute total ionization cross section curve obtained is in excellent agreement in shape and magnitude with the low energy data (<200 ev)=" of=" djuric=" et=" al.=" 1991=" and=" the=" high=" energy=" data=" points=" of=" schram=" et=" al.=">     

Theoretical premises for experimental verification of the deviations from the wannier threshold behaviour

The Wannier [1] theory describes the escape of two electrons from a charged core in the threshold domain. Its modification [3] is applied to some features of the double escape processes which were not analyzed previously in due extent. The behaviour of the total cross sections for a small, but finite, energy excessE above the threshold is described incorporating the deviations from the well known Wannier power law. The processes with the escape of electron and positron from the core are also considered. The energy dependence of the spin asymmetryA in (e, 2e) collisions is analyzed in connection with the recent experimental data (which seem to manifest some dependenceA(E) in the near-threshold domain contrary to the conventional Wannier theory). The theory suggests the requirements for the accuracy of the experiments intended to verify the Wannier threshold laws and detect the deviations from them.     

Electron bombardment induced fragmentation of size selected neutral (D2O) n clusters

The fragmentation behaviour of size selected neutral (D₂O) _n clusters withn4 after ionization with 70 eV electrons is subject of this work. Size selection by scattering the cluster beam from a He target beam in combination with a quadrupole mass filter and time resolved measurements at specific laboratory angles enables us to determine the neutral precursor masses of the detected ions. The measured fragment pattern is dominated by deuterated ions of the form (D₂O) _n–x D⁺ withx1. The dimer fragmentation which leads with a probability of 62.5% to the D₃O⁺ ion and with 37.5% to D₂O⁺ can be explained by fast intracluster ion-molecule reactions of charged monomer fragments reacting with the partner molecule. For larger clusters the fragmentation process can be rationalised by the creation of an initially highly excited D₃O⁺ (D₂O) _x complex which is stabilized by evaporating additional monomer units with the main fragment channel (D₂O)D⁺ forn=3 and (D₂O)₂D⁺ forn=4. With increasing cluster size an increasing tendency of evaporation of more than one water monomer unit has been observed.     

Observation of the fluorescence polarization of atomic fragments from rotational resolved predissociation

The effect of molecular rotation on the degree of polarization of the fluorescence emitted by H-atoms that are obtained by photopredissociation of H₂ into H(n=3)+H(1S) has been observed. The H₂ molecules are excited to predissociative excited states with a well defined rotational quantum number by absorption of a photon in the wavelength range of 720–750 Å. The molecular rotational motion is clearly seen to reduce the polarization. In one case the polarization vanishes, which is attributed to aP(1) rotational line of a¹–¹ transition, which cannot be explained classicially. Quantum mechanical calculations with relatively simple expressions and explicit values of the polarization of atomic fluorescence are presented.     

Polarizational bremsstrahlung in collisions of slow atomic particles

The polarizational bremsstrahlung problem is considered in collisions of slow atomic particles. It is demonstrated that the polarizational bremsstrahlung dominates in the region of high impact parameters and small photon frequencies over the well-known molecular orbital X-ray emission. The contribution of the polarizational bremsstrahlung to the total radiation spectrum is significant over a wide frequency range.