Dissociative excitation of the fluoromethanes by electron impact

Emission spectra following electron impact on molecules of the homologous series of fluoromethanes CH_xF_4-x with x=0-4 have been investigated from the near infrared at 700 nm to the ultraviolet VUV-spectral region at 100 nm. Earlier experimental data for the visible and ultraviolet spectral region were revised and evaluated again on the basis of reliable new data for the dynamic viscosity of the molecules. The measurement of absolute and relative cross-sections were systematically extended into the VUV region from 100 nm to 200 nm. The examination of atomic lines as well as molecular band systems in the VUV gives further insight into the dissociation mechanism and shows that many excited levels even of atomic and molecular species cannot be populated directly, but only by transitions from higher-lying energy levels. Simple steric effects can be distinguished from more complex transition phenomena. Received: 25 February 1998 / Revised: 29 May 1998 and 18 June 1998 / Accepted: 23 June 1998     

Calculation of the contributions from high-n dielectronic satellites to the resonance line in helium-like iron

A simplified relativistic configuration interaction method is used to study the dielectronic satellite transition processes. In this method, the infinite resonant doubly excited states can be calculated, and furthermore, the whole high-n dielectronic satellite transition processes can be treated conveniently by interpolation (rather than extrapolation) in the frame of Quantum Defect Theory. As an example, we calculate the contributions from high-n dielectronic satellites to the resonance line in helium-like iron, and the results are in good agreement with the experimental measurements. Received: 16 April 1998 / Revised: 8 September 1998 / Accepted: 14 September 1998     

Calculation of dielectronic recombination cross sections and rate coefficients for heliumlike carbon

A simplified relativistic configuration interaction method is used to calculate the dielectronic recombination cross sections and rate coefficients for heliumlike carbon. In this method, the infinite resonant doubly excited states can be treated conveniently in the frame of Quantum Defect Theory. Our calculated cross sections are in agreements with the experimental measurements except for the 1s2lnl'(n=6,7) resonances. The total energy-integrated cross sections and rate coefficients over all dielectronic resonances are in agreements with the experimental measurements within percent. Received: 7 July 1997 / Revised: 7 October 1997 / Accepted: 8 December 1997     

A novel electron scattering apparatus combining a laser photoelectron source and a triply differentially pumped supersonic beam target: characterization and results for the resonance

A novel electron scattering apparatus for high resolution studies of angle-differential elastic and inelastic electron scattering from atoms and molecules in the gas phase is described and its performance characterized. It combines a laser photoelectron source, a triply differentially pumped collimated supersonic beam target (half angle 0.015 rad, background to beam density ratio < 0.01), and several electron multipliers for simultaneous detection of elastically scattered electrons and metastable atoms (or molecules) due to inelastic scattering. In detailed test measurements of the yield for the production of metastable He^*(2³S₁) atoms around its threshold, the dependence of the overall energy width on various experimental parameters has been investigated. So far a resolution down to 7 meV (FWHM) has been obtained. Under such conditions we have investigated the profile of the He^- (1 s 2 s ^{2 2} S _1/2 ) resonance at the scattering angles 22 ^° , 45 ^° , and 90 ^° . From a consistent fit of the measured profiles by resonant scattering theory we determine a new value for the resonance energy ( E _r = 19.365(1) eV) and an accurate resonance width ( Γ = 11.2(5) meV). These results are consistent with the previously recommended values. Received 23 July 2002 Published online 29 October 2002 RID="a" ID="a"e-mail: hotop@physik.uni-kl.de RID="b" ID="b"Permanent address: Department of Physics and Astronomy, Drake University, Des Moines, IA 50311, USA.     

Triply excited three-electron systems--semiclassical model

We calculate rovibronic intrashell spectra of the triply highly excited atomic hydrogen dianion, helium anion and lithium atom, within a simple semiclassical model. Zero-order electronic energy levels and half-lives are calculated for a number of principal quantum numbers and approximate thresholds for the appearance of vibronic modes are estimated. Since no quantum-mechanical and experimental data are available for the highly excited levels (N > 5), where the semiclassical models apply, no comparison with other results are possible at present. The problem of comparing semiclassical and quantum-mechanical calculations for moderately large quantum numbers, which seem attainable by the present day experimental technique, has been discussed. Received: 16 September 1998 / Received in final form: 16 March 1999     

Elastic scattering of low-energy electrons by NO

We report elastic integral, momentum transfer and differential cross sections for electron scattering by N₂O for energies up to 50 eV. These results were obtained at the static-exchange approximation with the Schwinger Multichannel Method with Pseudopotentials [M.H.F. Bettega, L.G. Ferreira and M.A.P. Lima, Phys. Rev. A 47, 1111 (1993)]. In general our results show good agreement with experimental data and with other theoretical results but some discrepancies are found. We have also found a shape resonance around 4 eV in agreement with previous calculations using the R-matrix Method of Sarpal et al. [J. Phys. B 29, 857 (1996)]. On the other hand, the existence of a resonance at about 13 eV, clearly seen by the Schwinger Variational Iterative Method [Michelin et al., J. Phys. B 29, 2115 (1996)], can not be confirmed by our calculations. At this energy, our cross sections show a broad bump with no clear resonant behavior given by the eigenphase sum. Received: 13 November 1997 / Revised: 13 March 1998 / Accepted: 9 April 1998     

Excitation of sodium atoms by 330-nm laser pulses

1/2 ) atoms in a dense sodium vapour irradiated by nanosecond laser pulses tuned near the 3S→4P transition was investigated. It was observed that the population of Na(4P) atoms remained high only within the laser pulse, in spite of the relatively long lifetime of the 4P level (110.ns)The 3P_1/2 level, which is populated as a result of cascade transitions from the higher levels, reached the highest population several nanoseconds after the laser shot. The fast population changes are explained by cascade-stimulated transitions between the excited atomic levels. Received: 16 July 1997/Revised version: 27 October 1997     

Energy loss of 18 keV electrons in gaseous T and quench condensed D films

Measurements of the energy loss of fast electrons at an energy of 18 keV have been performed on molecules of hydrogen isotopes, gaseous T ₂ and frozen D ₂ . Whereas in the case of gaseous T ₂ the values of total inelastic cross-section ( cm² for E = 18.6 keV), average energy loss ( eV) and peak position of the energy loss spectra ( eV) agree well with the expectations, the corresponding values for quench condensed D ₂ differ significantly from the ones for gaseous T ₂ . We observe a significant lower total inelastic cross-section ( cm², for E = 18.6 keV) larger average energy loss ( eV) and higher peak position ( eV). These differences may be interpreted in terms of changes of the final state spectrum. A CI calculation for a D ₂ cluster shows indeed a clear shift of the excited states in agreement with the observation. Received 24 August 1999     

Properties of the asymptotic nA + mB → C reaction-diffusion fronts

We discuss, at the mean-field level, the asymptotic shape of the reaction fronts in the general nA + mB → Creaction-diffusion processes with initially separated reactants, thereby generalizing to arbitrary reaction-order kinetics the work done by Gálfi and Rácz for the case n = m =1. The obtained information allows us to calculate the asymptotic density of Cparticles deposited by the moving reaction front, a quantity that plays an important role in the theories of Liesegang patterns formation. Received 12 April 2000     

Total cross-sections for positron scattering by a series of molecules

The additivity rule is employed to obtain the total (elastic+inelastic) cross-sections for positron scattering from molecules including a number of diatomic, polyatomic molecules (H₂, N₂, HCl, CO₂, NH₃, SF₆, CH₄, C₂H₄ and C₃H₈) over an incident energy range of 10-1000 eV. The total cross-sections (TCS) of the constituent atoms of molecules are obtained by employing a complex optical model potential (composed of static, polarization and absorption potential). The present results are compared with experimental data and other theoretical calculations, good agreement is obtained in intermediate- and high-energy region. Received: 11 November 1997 / Revised: 23 March 1998 / Accepted: 16 June 1998     

Ionisation of phosphorus, arsenic, antimony, and bismuth by electron impact

Total ionization cross sections of neutral phosphorus, arsenic, antimony, and bismuth atoms by electron impact are reported and compared to the only available experimental results by Freund et al. [Phys. Rev. A 41, 3575 (1990)]. These calculations take into account the possibilities that some target atoms used in the experiments were in metastable states close to the ground state, the excitation-autoionization of nsnp⁴ excited states may be substantial, and the ions produced in experiments may be in excited, low-lying metastable states. The cross sections for direct ionization calculations are based on the BEB model by Kim and Rudd [Phys. Rev. A 50, 3954 (1994)]. Plane-wave Born cross sections scaled by the method developed by Kim [Phys. Rev. A 64, 3954 032713 (2001)] are used to determine the contributions from excitation-autoionization. The combination of the BEB model and the scaled Born cross sections is in agreement with the experimental data by Freund et al. These theoretical data are useful to experimentalists and can be used to complete data tables needed for plasma or astrophysical studies.     

Precise measurement of hyperfine coupling in CH F based on nuclear spin conversion

A new method is proposed for the experimental determination of the hyperfine coupling in molecules. The method is based on the level-crossing effect in the spin isomer conversion in alternating electric fields. An experiment performed with the ¹³CH₃F molecules has revealed the strength of the off-diagonal in K () nuclear spin-spin coupling kHz, which is only by kHz larger than the theoretical value calculated on the basis of the molecular structure. Received 25 January 2000 and Received in final form 11 May 2000     

Vibrational resonances of non-rotating HCN in the excited electronic state

A multi reference internally contracted configuration interaction (MRCI) method is used to generate the potential energy function (PEF) of the excited electronic state of HCN molecule. The analytic representation of the PEF is employed to calculate complex eigenvalues (resonance positions and widths) by a discrete variable representation (DVR) of the Hamiltonian for the non-rotating (J =0) molecule. The computational method used is a variant of the filter-diagonalization technique based on a recursive polynomial expansion of the absorbing-boundary-conditions (ABC) Green operator. Reasonable agreement with existing experimental data is found. Received 27 July 1999 and Received in final form 18 October 1999     

Electron multiplicity in slow collisions of Ar ions with C

Electron capture by Ar⁸⁺ in collisions with C₆₀ fullerene has been investigated using coincident measurements of the number n of ejected electrons, the mass and charge of multicharged Cr+ ₆₀ recoil ions and their fragments Ci+ m and the final charge state of outgoing projectiles Ar(8-s)+ (). The number of captured electrons r is the sum of the numbers of stabilized and emitted electrons: r = n + s. The ratio n / s decreases by a factor three with s increasing from 1 to 7 showing that the multiply excited states populated by capture of a large number of electrons are rather stable against auto-ionisation. Each kinetic energy spectrum of Ar⁺ and Ar²⁺ projectiles is composed of two peaks which we attribute to collisions “inside” and “outside” the C₆₀ cage. The measured energy shift of the projectile keV is consistent with the corresponding energy loss keV in a carbon foil with an equivalent thickness. Inside collisions are characterized by a strong dissociation of recoil ions into light monocharged fragments and by a high multiplicity of ejected electrons. Received: 25 March 1998 / Received in final form and Accepted: 9 June 1998     

Measurement of the Majorana effect in a molecule using a switched magnetic field and quantum beat detection

By means of quantum beat spectroscopy we investigated the dynamics of magnetic moments associated with hyperfine levels in the molecule under “spin-flip conditions”. Oriented molecules in a cold beam were prepared by excitation with a circularly polarized laser pulse () in a weak magnetic field (). Subsequently, they were exposed to a rapid field inversion which left the magnetic moment in its initial orientation. The initially created coherences among the excited hf levels were conserved after field reversal and thus were explored to characterize the changes in the level structure due to this “Majorana spin-flip” process. Received: 4 February 1999     

Rotational effects in low energy dissociative recombination of diatomic ions

The effect of rotational interaction in the low energy dissociative recombination process of diatomic molecules has been explored for typical molecular ions () which sample a large range of molecular masses. We show that rotation plays a role mainly for the indirect recombination process through bound Rydberg states, and for light molecules. When the direct process based on a strong electronic interaction is fast and dominating, rotational couplings can be safely neglected especially for heavier molecules like NO. Received: 18 September 1997 / Revised in final form: 17 October 1997 / Accepted: 20 October 1997     

Spin polarization of electrons elastically scattered from europium and bismuth atoms

We present calculations of differential, integrated elastic, total, momentum transfer cross-sections and spin-polarization parameters S, T and U for scattering of electrons from Eu and Bi atoms in the energy range 2.0 to 500.0 eV using semi-relativistic approach. The target-projectile interaction is represented both by real and complex parameter-free optical potentials in the solution of Dirac equation for the scattered electrons. The results for the differential cross-sections and spin-polarization parameters have been compared with the available calculations and experimental results. Received 17 February 2000 and Received in final form 15 June 2000     

Electron impact single detachment on the F - ions using the heavy ion storage ring CRYRING: Cross-section determination

Electron Impact Single Detachment (EISD) of F^- has been studied using the heavy ion storage ring CRYRING at the Manne Siegbahn Laboratory, Stockholm, Sweden. F^- ions stored in the ring were merged with an electron beam in one of the ring sections. Neutral F atoms produced in the EISD process were detected in the zero-degree direction using a surface barrier detector. The threshold for the detachment process was found to be around 7.6 eV, thus more than twice the binding energy of F^-. The cross-sections increased smoothly up to 55 eV where it reached a maximum of 1.9×10 ^-16 cm ² . At higher energies a slow decrease of the cross-section was observed, which follows the energy dependence predicted by the Bethe-Born approximation. The experiment showed that CRYRING can be used favourably for studies of anions, and several experiments are forthcoming. Received 14 June 2000 and Received in final form 11 September 2000     

Vibrational Feshbach resonances in electron attachment to carbon dioxide clusters

Using a high resolution ( meV) laser photoelectron attachment method, we have studied the formation of (CO ₂) _q ⁻ ions (q = 4−22) in collisions of low energy electrons (1−180 meV) with (CO₂) _N () clusters. The previously reported “zero energy resonance”, observed at much larger electron bandwidths, actually consists of several narrow vibrational Feshbach resonances of the type [(CO ₂) _{N −1}CO which involve a vibrationally-excited molecular constituent ( denotes vibrational mode) and a diffuse electron weakly bound to the cluster by long range forces. The resonances occur at energies below those of the vibrational excitation energies of the neutral clusters [(CO ₂) _{N −1}CO ]; the redshift rises with increasing cluster ion size q by about 12 meV per unit; these findings are recovered by a simple model calculation for the size dependent binding energies. The size distribution in the cluster anion mass spectrum, resulting from attachment of very slow electrons, mainly reflects the amount of overlap of solvation-shifted vibrational resonances with zero energy; the cluster anion size q is identical with or close to that of the attaching neutral cluster. Received 11 January 2000 and Received in final form 10 April 2000     

Charge correlations in the weakly doped t-J model calculated by projection technique

We study frequency- and wave-vector dependent charge correlations in weakly doped antiferromagnets using Mori-Zwanzig projection technique. The system is described by the two-dimensional t-J model. The ground state is expressed within a cumulant formalism which has been successfully applied to study magnetic properties of the weakly doped system. Within this approach the ground state contains independent spin-bag quasiparticles (magnetic polarons). We present results for the charge-density response function and for the optical conductivity at zero temperature for different values of t / J. They agree well with numerical results calculated by exact diagonalization techniques. The density response function for intermediate and large momenta shows a broad continuum on energy scales of order of several t whereas the optical conductivity for is dominated by low energy excitations (at 1.5-2J). We show that these weak-doping properties can be well understood by transitions between excited states of spin-bag quasiparticles. Received: 10 July 1997 / Revised: 19 March 1998 / Accepted: 3 April 1998