WorldWideScience

Sample records for autoionization

  1. Studies of autoionizing states relevant to dielectronic recombination. Final report

    International Nuclear Information System (INIS)

    Gallagher, T.F.

    1985-01-01

    Dielectronic recombinaation, the inverse of autoionization, is a process leading to significant power loss in CTR plasmas. Although it is known that dielectronic recombination proceeds via autoionization Rydberg states, few data exist on autoionizing states and how they are affected by conditions found in a CTR plasma. Under this research program we have been using a novel laser excitation technique developed at SRI to study autoionizing states and the perturbing effects of electric fields found in CTR plasmas. We describe experimental investigations of the spectroscopy of autoionizing Rydberg states, the energy analysis of electrons ejected from autoionizing states, autoionizing in electric fields, and the autoionization induced by an electric field. 33 refs., 16 figs

  2. High resolution autoionization spectra in atomic uranium

    Energy Technology Data Exchange (ETDEWEB)

    Paisner, J.A.; Solarz, R.W.; Carlson, L.R.; May, C.A.; Johnson, S.A.

    1975-11-17

    High resolution (less than or equal to .5 cm/sup -1/) autoionization spectra of atomic uranium has been observed from newly identified odd parity levels between 32,660 and 34,165 cm/sup -1/. Photoionization cross sections are presented.

  3. AUTOIONIZATION OF LOW-LYING 5DNG STATES IN BARIUM

    NARCIS (Netherlands)

    van Leeuwen, R.; Ubachs, W.M.G.; Hogervorst, W.

    1994-01-01

    The autoionizing 5dng J = 1-5 states in barium for n=5-8 were investigated in a two-step pulsed laser atomic beam experiment. The wavefunctions of the 5dng configuration can be well described in a (jl)K-coupled basis. Each 5d(j)ng[K] fine structure state autoionizes into a single 6sepsilonl

  4. Auto-ionizing states in MgI

    International Nuclear Information System (INIS)

    El-Sherbini, Th.M.; Rahman, A.A.

    1982-01-01

    Hartree-Fock calculations have been performed for the auto-ionizing levels of the 3pns, 3pnp, 4snp (n=4 to 7) and 3pnd (n=3 to 7) series in MgI. The calculated energies of the auto-ionizing states are compared with the available results from photo-absorption measurements and ejected-electron experiments. (author)

  5. Ettore Majorana and the birth of autoionization

    Science.gov (United States)

    Arimondo, Ennio; Clark, Charles W.; Martin, William C.

    2010-02-01

    In some of the first applications of modern quantum mechanics to the spectroscopy of many-electron atoms, Ettore Majorana in 1931 solved several outstanding problems by developing the theory of autoionization [1]. Later literature makes only sporadic references to this accomplishment. After reviewing his work in its contemporary context, we describe subsequent developments in understanding the spectra treated by Majorana, and extensions of his theory to other areas of physics. We find several puzzles concerning the treatment of Majorana's work in the subsequent literature and the way in which the modern theory of autoionization was developed. [1] The relevant papers are those numbered 3 and 5 in the convenient collection, Ettore Majorana Scientific Papers: On the occasion of the centenary of his birth, ed. G. F. Bassani et al. (SIF, Bologna 2006), where they are accompanied by English translations and commentary. The originals are, respectively, ``I presunti termini anomali dell'elio," E. Majorana, Il Nuovo Cimento 8, 78 (1931) and ``Teoria dei tripletti P' incompleti," E. Majorana, Il Nuovo Cimento 8, 107 (1931). )

  6. Assignments of autoionization states of O2-asterisk

    Science.gov (United States)

    Wu, C. Y. Robert

    1987-01-01

    Attention is given to the uncertainties that remain concerning the autoionization states of O2 leading to the a 4Pi(u) and A 2Pi(u) states of O2(+), as well as some of the assignments of the autoionization states and the determinations of effective quantum numbers and quantum defects. The former problems of vibrational assignments are unambiguously established in view of a study of isotopic oxygen molecules. A systematic examination of the known Rydberg series is conducted, and new assignments and interpretations for several autoionization states leading to the various states of O2(+) are suggested.

  7. Autoionizing states of atoms calculated using generalized sturmians

    DEFF Research Database (Denmark)

    Avery, James Emil; Avery, John Scales

    2005-01-01

    The generalized Sturmian method is applied to autoionizing states of atoms and ions. If the Goscinskian basis sets allow for a sufficient amount of angular correletion, the calculated energies of doubly-excited (autoionizing) states are found to agree well with the few available experimental...... energies. A large-Z approximation is discussed, and simple formulas are derived which are valid not only for autoionizing states, but for all states of an isoelectronic atomic series. Diagonalization of a small block of the interelectron repulsion matrix yields roots that can be used for a wide range of Z...

  8. Autoionizing states driven by stochastic electromagnetic fields

    Science.gov (United States)

    Mouloudakis, G.; Lambropoulos, P.

    2018-01-01

    We have examined the profile of an isolated autoionizing resonance driven by a pulse of short duration and moderately strong field. The analysis has been based on stochastic differential equations governing the time evolution of the density matrix under a stochastic field. Having focused our quantitative analysis on the 2{{s}}2{{p}}({}1{{P}}) resonance of helium, we have investigated the role of field fluctuations and of the duration of the pulse. We report surprisingly strong distortion of the profile, even for peak intensity below the strong field limit. Our results demonstrate the intricate connection between intensity and pulse duration, with the latter appearing to be the determining influence, even for a seemingly short pulse of 50 fs. Further effects that would arise under much shorter pulses are discussed.

  9. Polarization of fluorescence: a probe of molecular autoionization

    International Nuclear Information System (INIS)

    Leroi, G.E.; Dehmer, J.L.; Parr, A.C.; Poliakoff, E.D.

    1983-01-01

    The polarization of fluorescence from excited-state molecular photoions provides a direct probe of the photoionization dynamics and the symmetry signatures of autoionizing resonances. Measurements on CO 2 and CS 2 are presented as examples

  10. Recurrence Spectroscopy of Autoionizing Rydberg Argon

    Science.gov (United States)

    Wright, J. D.; Walker, P. A.; Gurian, J. H.; van Lier-Walqui, M.; Lambert, J. M.; Flores-Rueda, H.; Morgan, T. J.

    2004-05-01

    We have extended scaled energy spectroscopy of meta-stable argon to measure Rydberg states above the first ionization limit. Prior measurements [1] showed a principal Rydberg series converging to the ground state of the Ar+ ion. The spectra also showed strong perturbing resonances of the Rydberg electron orbiting an excited ion core. New experiments show that single uv-photon excitation of the meta-stable state can produce strong transitions to doubly excited states above the first ionization limit. In this auto-ionizing regime the electron escapes leaving behind an excited ion core. The excitation creates an electron-hole pair which interacts with the rest of the atom. This three body system provides an opportunity to test extensions of closed orbit theory [2,3] and experimentally probe the classical dynamics using recurrence spectroscopy. Work supported by National Science Foundation. [1] M.L. Keeler, J.D. Wright, H. Flores-Rueda, and T.J. Morgan, J. Phys. B (to be published) [2] B.E. Granger and C.H. Green, PRA 62, 12511 (2000) [3] W. Huang and T.J. Morgan, PRA 65 033409 (2002)

  11. Three-photon resonances due to autoionizing states in calcium

    Energy Technology Data Exchange (ETDEWEB)

    Zawadzka, A.; Dygdala, R.S.; Raczynski, A.; Zaremba, J.; Kobus, J. [Instytut Fizyki, Uniwersytet M Kopernika w Toruniu, Torun (Poland)

    2002-04-28

    In the present study we have investigated three-photon ionization in Ca in which autoionizing states are engaged. The two-photon resonant process (from the Ca ground state 4s{sup 2} {sup 1}S{sub 0}) occurred through or at least in the vicinity of one of the following states: 4s4d {sup 1}D{sub 2}, 4p{sup 2} {sup 3}P{sub 2}, 4s6s {sup 1}S{sub 0}, 4p{sup 2} {sup 1}D{sub 2} and 4p{sup 2} {sup 1}S{sub 0}, with the third photon either reaching the continuum directly or one of the autoionizing states. The three-photon resonant transitions to 3dmp, mf: {sup 1}P{sub 1}, {sup 3}P{sub 1} and {sup 3}D{sub 1} autoionizing states for m up to 21 have been observed. Some of the autoionizing resonances which we have found had not been observed before in a high-resolution one-photon absorption experiment (for J=1) and in multiphoton experiments (for J=3). We have compared the ionization signal as a function of the laser detuning and the laser intensity with theoretical curves obtained within a simple model (three-level atom + one-mode laser field). This gives information about the order of magnitude of the three-photon ionization probability through autoionizing states. (author)

  12. Forces on nuclei moving on autoionizing molecular potential energy surfaces.

    Science.gov (United States)

    Moiseyev, Nimrod

    2017-01-14

    Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths. This work addresses calculation of the real forces on the nuclei moving on the CPES. By using the transformation of the time-dependent Schrödinger equation, previously used by Madelung, we proved that the classical forces on nuclei moving on the CPES correlated with the gradient of the real part of the CPES. It was proved that the force on the nuclei of the metastable molecules is time independent although the probability to detect metastable molecules exponentially decays. The classical force is obtained from the transformed Schrödinger equation when ℏ=0 and the Schrödinger equation is reduced to the classical (Newtonian) equations of motion. The forces on the nuclei regardless on what potential energy surface they move (parent CPES or product real PESs) vary in time due to the autoionization process.

  13. Precision angle-resolved autoionization resonances in Ar and Ne

    Energy Technology Data Exchange (ETDEWEB)

    Berrah, N.; Langer, B.; Gorczyca, T.W. [Western Michigan Univ., Kalamazoo, MI (United States)] [and others

    1997-04-01

    Theoretical work has shown that the electron angular distribution and the shape of the autoionization resonances are crucial to the understanding of certain types of electron-electron correlation. Autoionization resonances in Ne (Ar) result from the decay of the excited discrete state Ne{sup *} 2s2p{sup 6} np (Ar{sup *} 3s3p{sup 6} np) into the continuum state Ne{sup +} 2s{sup 2}2p{sup 5} + e{sup {minus}} (ks,kd) (Ar{sup +} 3s{sup 2}3p{sup 5} + e{sup {minus}} (ks,kd)). Since the continuum can also be reached by direct photoionization, both paths add coherently, giving rise to interferences that produce the characteristic Beutler-Fano line shape. In this work, the authors report on quantitative angle-resolved electron spectrometry studies of (a) the Ne 2s{sup 2}2p{sup 6} {r_arrow} 2s2p{sup 6} np (n=3-5) autoionizing resonances and the 2s{sup 2}2p{sup 6} {r_arrow} 2p{sup 4}3s3p doubly excited resonance, (b) the Ar 3s{sup 2}3p{sup 6} {r_arrow} 3s3p{sup 6} np (n=4-9) autoionization resonances and extended R-matrix calculations of the angular-distribution parameters for both Ne and Ar measurements. Their results are compared with previous theoretical work by Taylor.

  14. Entanglement between an autoionizing system and a neighboring atom

    Czech Academy of Sciences Publication Activity Database

    Lukš, A.; Peřina ml., Jan; Leoński, W.; Peřinová, V.

    2012-01-01

    Roč. 85, č. 1 (2012), "012321-1"-"012321-10" ISSN 1050-2947 R&D Projects: GA MŠk(CZ) 1M06002 Grant - others:MSM(CZ) OC09026 Institutional research plan: CEZ:AV0Z10100522 Keywords : laser-induced autoionization * continuum * spectra * fields * states Subject RIV: BH - Optics, Masers, Lasers Impact factor: 3.042, year: 2012 http:// pra .aps.org/pdf/ PRA /v85/i1/e012321

  15. Recurrence Spectroscopy of Autoionizing Rydberg Argon in an Electric Field

    Science.gov (United States)

    Wright, J. D.

    2005-05-01

    Previously, we have performed single uv-photon excitation of metastable argon to spin-orbit autoionizing states between the first and second fine structure ionization limits. [1] A pulsed frequency-doubled dye laser excites the valence electron to a Rydberg state and excites the ionic core from j=1/2 to j=3/2. The core then relaxes and ejects the Rydberg electron. We have developed a new apparatus that allows us to measure these autoionizing states in an electric field using a fast beam. Using this apparatus we have extended the field-free measurements to probe the semi-classical dynamics of this system in an electric field using the method of recurrence spectroscopy [2]. Recurrence spectra for the autoionizing states in an electric will be compared to the corresponding spectra in the bound state region. Work supported by National Science Foundation. [1] J.D. Wright, P.A. Walker, J.H. Gurian, M. van Lier-Walqui, J.M. Lambert, H. Flores-Rueda, and T.J. Morgan; Bulletin of the American Physical Society (2004) [2] M L Keeler, H Flores-Rueda, J D Wright, and T J Morgan; J. Phys. B. 37, 809-815 (2004)

  16. Electron capture to autoionizing states of multiply charged ions

    International Nuclear Information System (INIS)

    Mack, E.M.

    1987-01-01

    The present thesis investigates electron capture reactions resulting from slow collisions (V q+ ) and neutral gas targets (B). The energy spectra of the emitted electrons are measured; detection angle is 50 0 . Mainly, autoionizing double capture resulting from collisions with two-electron targets (He, H 2 ) is studied; then, the emitted electrons stem from doubly excited projectile states. The projectiles used are bare C 6+ , the H-like and He-like ions of C, N and O, He-like Ne 8+ and Ne-like Ar 8+ . Excited metastable projectiles used are C 5+ (2s), He-like projectiles A q+ (1s2s 3 S) and Ar 8+ (...2p 5 3s). Comparison is made with the predictions of a recently proposed extended classical barrier model, that was developed in connection with the work. This model assumes sequential capture of the electrons ('two-step' process); it predicts the realized binding enegies of the captured electrons - which may be directly determined from the autoionization spectra using only the projectile charge, the ionization potentials of the target and the collision velocity as parameters. No adjustable parameter enters into the calculations. The term energies and decay modes of the highly excited product ions themselves are studied. Generally, the autoionizing decay of these states is found to proceed preferentially to the directly adjacent lower singly excited state. Experimental evidence is presented, that triply excited states decay by successive emission of two electrons, whenever this is energetically possible. Finally, the L-MM decay in few-electron systems is considered. 314 refs.; 96 figs.; 29 tabs

  17. Autoionizing states in highly ionized oxygen, fluorine and silicon

    International Nuclear Information System (INIS)

    Forester, J.P.; Peterson, R.S.; Griffin, P.M.; Pegg, D.J.; Haselton, H.H.; Liao, K.H.; Sellin, I.A.; Mowat, J.R.; Thoe, R.S.

    1975-01-01

    Autoionizing states in high Z 3-electron ions associated with core excited configurations of the type 1s2snl and 1s2pnl are reported. The electron decay-in-flight spectra of lithium-like oxygen, fluorine, and silicon ions are presented. Initial beam energies of 6.75-MeV oxygen and fluorine ions and 22.5-MeV silicon ions were used. Stripping and excitation were done by passing the beams through a thin carbon foil. The experimental technique is described. 4 figs, 1 table, 7 refs

  18. Electron spectra resulting from autoionization in low-energy Li+ + He collisions

    International Nuclear Information System (INIS)

    Yagishita, A.; Wakiya, K.; Takayanagi, T.; Suzuki, H.; Koike, F.

    1979-09-01

    Spectra of electrons ejected from doubly excited states of helium have been extensively measured at several observation angles fro impact with lithium ions at energies lower than 5 KeV. ''Molecular-autoionization'' spectra have been found at forward observation angles, and analyzed in terms of the Gerber-Niehaus theory with modification. The spectral shapes of atomic-autoionization peaks have been discussed in relation to both the Barker-Berry effect and the Doppler effect. Excitation cross sections of autoionizing states have been determined by a new method that uses simultaneous impact of ions and electrons. (author)

  19. Photoelectron studies of autoionizing Rydberg states in HCl

    International Nuclear Information System (INIS)

    White, M.G.; Grover, J.R.

    1985-01-01

    The results of a systematic investigation of electronically autoionizing Rydberg states in HCl are discussed. Vibrationally resolved photoelectron spectroscopy was used to map out the non-radiative decay of vibronic levels of 3psigma → n(/sub d//sup s/)sigma Rydberg states converging to the A 2 Σ + (3psigma) -1 excited ionic state. The observed vibrational distributions of the resulting X 2 PI(1π) -1 ionic state are compared with the results of model calculations of Terwilliger and Smith based on spectral analysis of the absorption spectrum. Overall, the X 2 PI vibrational branching ratios are found to be in only rough qualitative agreement with the calculations and these results are discussed in relation to the approximations involved. 18 refs., 4 figs., 1 tab

  20. Simple discretization method for autoionization widths. III. Molecules

    International Nuclear Information System (INIS)

    Macas, A.; Martn, F.; Riera, A.; Yanez, M.

    1987-01-01

    We apply a new method to calculate widths of two-electron Feshbach resonances, which was described in detail and applied to atomic systems in preceding articles (this issue), to molecular and quasimolecular autoionizing states. For simplicity in the programming effort, we restrict our calculations to the small-R region where one-centered expansions are sufficiently accurate to describe the wave functions. As test cases, positions and widths for the H 2 , He 2 /sup 2+/, HeH + , and LiHe/sup 3+/ resonances of lowest energy are computed for R<0.6 a.u. The advantage of using block-diagonalization techniques to define diabatic resonant states instead of generalizing the Feshbach formalism is pointed out

  1. Decay of long-lived autoionization atomic states in atom collisions

    International Nuclear Information System (INIS)

    Krakov, B.G.

    1994-01-01

    Radiationless decay of long-lived autoionization states of helium atoms in atom collisions is investigated. It is shown that the states may decay in atom collisions due to softening of the selection rules

  2. Field-induced narrowing of auto-ionization atomic states as a way of creating inverse population

    International Nuclear Information System (INIS)

    Kotochigova, S.A.

    1990-10-01

    We discuss the possibility of narrowing the atomic auto-ionization states via their resonance mixing in a field. The results of Ref.1 show that, in contrast to the mixing of isolated states, with mixing of multiplets one may expect substantial narrowing of auto-ionization states owing to their intersection with bound electron states. (author). 5 refs, 5 figs, 1 tab

  3. Autoionization resonances in the photoabsorption spectra of Fe{sup n+} iron ions

    Energy Technology Data Exchange (ETDEWEB)

    Konovalov, A. V., E-mail: alkonvit@yandex.ru; Ipatov, A. N., E-mail: andrei-ipatov@mail.ru [Peter the Great St. Petersburg State Polytechnic University (Russian Federation)

    2016-11-15

    The photoabsorption cross sections of a neutral iron atom, as well as positive Fe{sup +} and Fe{sup 2+} ions, are calculated in the relativistic random-phase approximation with exchange in the energy range 20–160 eV. The wavefunctions of the ground and excited states are calculated in the single-configuration Hartree–Fock–Dirac approximation. The resultant photoabsorption spectra are compared with experimental data and with the results of calculations based on the nonrelativistic spin-polarized version of the random-phase approximation with exchange. Series of autoionization resonance peaks, as well as giant autoionization resonance lines corresponding to discrete transitions 3p → 3d, are clearly observed in the photoabsorption cross sections. The conformity of the positions of calculated peaks of giant autoionization resonances with experimental data is substantially improved by taking into account additionally the correlation electron–electron interaction based on the model of the dynamic polarization potential.

  4. Electromagnetically induced transparency in systems with degenerate autoionizing levels in Λ-configuration

    Czech Academy of Sciences Publication Activity Database

    Dinh, T.B.; Leoński, W.; Long, V.C.; Peřina ml., Jan

    2013-01-01

    Roč. 43, č. 3 (2013), s. 471-484 ISSN 0078-5466 Institutional support: RVO:68378271 Keywords : electromagnetically induced transparency (EIT) * lambda configuration * autoionizing states * double Fano profile Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.643, year: 2013

  5. Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

  6. The influence of autoionizing states on the excitation of helium by electrons

    International Nuclear Information System (INIS)

    Ittersum, T. van

    1976-01-01

    The work described in this thesis deals with resonance effects in the scattering of electrons by helium at energies near the threshold of the autoionizing states (50-70 eV). The investigation is performed by studying light emission following the excitation of singly excited states. In some cases, the polarization of the radiation was also investigated. The purpose of the research was (i) to enlarge our knowledge of triply excited negative ion states, i.e. resonance states which are formed by temporary binding of the incident electron to a doubly excited (autoionizing) state of neutral helium, and (ii) to clear up the nature of some resonance structures which could not be explained in terms of negative ion resonances

  7. An experimental study of the role of autoionizing states of H2 (D2) in the production of energetic protons (deuterons) by electron impact

    International Nuclear Information System (INIS)

    Landau, M.

    1982-06-01

    The autoionizing state study seemed interesting to be taken up again in energy ranges corresponding to formation thresholds, a device well adapted to this range was available concerning electron measurements. Among other things, the overlapping autoionizing states have been displayed; proton kinetic energy distribution appropriate to each state at its formation threshold have been got. The whole of these results represents a proton (and D + ) production mechanism study contribution via autoionizing states. The theory used to describe autoionization cross-section calculations are recalled. Experimental results are presented, discussed, compared to experimental results and theoretical predictions [fr

  8. Calculation of autoionization positions and widths with applications to Penning ionization reactions

    International Nuclear Information System (INIS)

    Isaacson, A.D.

    1978-08-01

    Using an approximate evaluation of Miller's golden rule formula to calculate autoionization widths which allows for the consideration only of L 2 functions, the positions and lifetimes of the lowest 1 , 3 P autoionizing states of He have been obtained to reasonable accuracy. This method has been extended to molecular problems, and the ab initio configuration interaction potential energy and width surfaces for the He(2 3 S) + H 2 system have been obtained. Quantum mechanical close-coupling calculations of ionization cross sections using the complex V* - (i/2) GAMMA-potential have yielded rate constants in good agreement with the experimental results of Lindinger, et al. The potential energy surface of the He(2 1 S) + H 2 system has also been obtained and exhibits not only a high degree of anisotropy, but also contains a relative maximum for a perpendicular (C 2 /sub v/) approach which appears to arise from s-p hybridization of the outer He orbital. However, similar ab initio calculations on the He(2 1 S) + Ar system do not show such anomalous structure. In addition, the complex poles of the S-matrix (Siegert eigenvalues) were calculated for several autoionizing states of He and H - , with encouraging results even for quite modest basis sets. This method was extended to molecular problems, and results obtained for the He(2 3 S) + H and He(2 1 S) + H systems. 75 references

  9. Laser-optogalvanic studies of the 4p5 ns and nd autoionizing resonances in krypton

    International Nuclear Information System (INIS)

    Baig, M A; Hanif, M; Aslam, M

    2008-01-01

    We report new measurements of the odd-parity autoionizing resonances in krypton using resonant two-photon excitation from the 4p 5 5s[3/2] 2 metastable level in a mild DC discharge and an optogalvanic detection technique. We have observed the 4p 5 ns [1/2] 0,1 , 4p 5 nd [3/2] 2 and 4p 5 nd [5/2] 2,3 autoionizing resonances excited from three intermediate levels 4p 5 5p' [1/2] 1 , 4p 5 5p' [3/2] 1 and 4p 5 5p' [3/2] 2 . The spectra are notable for the absence of the broad autoionizing 4p 5 nd [3/2] 1 series which dominates in the photo-absorption spectrum from the ground state. The prominent transitions follow ΔK = ΔJ = Δl selection rules of the JK-coupling scheme. We report nearly 100 new energy levels in krypton besides the quantum defects and the reduced widths Γ r Γ(ν) 3 of the nd' [3/2] 2 , nd' [5/2] 2 and nd' [5/2] 3 Rydberg states

  10. 4pnp J=0e-2e autoionizing series of calcium: experimental and theoretical analysis

    International Nuclear Information System (INIS)

    Bolovinos, A.; Luc-Koenig, E.; Assimopoulos, S.; Lyras, A.; Karapanagioti, N.E.; Crete Univ., Iraklion; Charalambidis, D.; Crete Univ., Iraklion; Aymar, M.

    1996-01-01

    The even parity 4pnp J=0, 1, 2 doubly excited autoionizing states of neutral calcium in an atomic beam are investigated by a two-step isolated core excitation (ICE) method using two different combinations of polarization of the laser beams. The different excited energy levels are assigned to nine autoionizing Rydberg series 4p 1/2,3/2 np J=0, 1, 2 for 8≤n≤22. The theoretical interpretation is achieved by a combination of the eigenchannel R-matrix theory and the multichannel quantum defect (MQDT) method. Two, five and six closed interacting channels are introduced for the J=0, J=1 and J=2 series respectively. Theoretical energy level positions, autoionization widths and excitation profiles are compared with the experimental data, confirming the identification of the observed structures and providing evidence of extended mixing between the 4p 1/2 np and 4p 3/2 np series. (orig.). With 9 figs., 3 tabs

  11. Resonant excitation and the decay of autoionization states in a strong electromagnetic field

    International Nuclear Information System (INIS)

    Andryushin, A.I.; Kazakov, A.E.; Fedorov, M.V.

    1985-01-01

    Photoionization of atoms involving resonant excitation of the auto-ionization state is studied. The evolution of the total ionization probability, its dependence on the frequency of the resonance radiation and also the photoelectron energy spectrum are investigated. It is shown that the energy of the final state of the system may be localized either in the vicinity of E approximately Esub(α), where Esub(α) is the auto-ionization energy, or in the vicinity of E approximately Esub(α)+h/2πω where h/2πω is the quantum energy of the resonance radiation. The photoelectron specturum in the region E approximately Esub(α)+h/2πω as a whole is similar to the electron spectrum on photoionization of atoms involving resonance excitation of the bound state. A strong effect on the photoelectron spectrum in the region E approximately Esub(α) is exerted by interference of various decay channels of the ground state in the resonance field which leads to the appearance in the spectrum of a characteristic structure of the Fano type. Interence also affects the widths of the two spectral curves, the relatve amount of electrons in the two energy ranges and also other characteristics of the ionization process. It is shown that the presence of a noninterfering photoionization channel of the autoionization state ensures the finiteness of the swidths and heights of the spectral curves and the absence of complete ''coherency merging''

  12. Branching ratio and angular distribution of ejected electrons from Eu 4f76p1/2 n d auto-ionizing states

    International Nuclear Information System (INIS)

    Wu Xiao-Rui; Shen Li; Zhang Kai; Dai Chang-Jian; Yang Yu-Na

    2016-01-01

    The branching ratios of ions and the angular distributions of electrons ejected from the Eu 4f 7 6p 1/2 n d auto-ionizing states are investigated with the velocity-map-imaging technique. To populate the above auto-ionizing states, the relevant bound Rydberg states have to be detected first. Two new bound Rydberg states are identified in the region between 41150 cm −1 and 44580 cm −1 , from which auto-ionization spectra of the Eu 4f 7 6p 1/2 n d states are observed with isolated core excitation method. With all preparations above, the branching ratios from the above auto-ionizing states to different final ionic states and the angular distributions of electrons ejected from these processes are measured systematically. Energy dependence of branching ratios and anisotropy parameters within the auto-ionization spectra are carefully analyzed, followed by a qualitative interpretation. (paper)

  13. Calculation of autoionization positions and widths with applications to Penning ionization reactions. [Miller golden rule formula

    Energy Technology Data Exchange (ETDEWEB)

    Isaacson, A.D.

    1978-08-01

    Using an approximate evaluation of Miller's golden rule formula to calculate autoionization widths which allows for the consideration only of L/sup 2/ functions, the positions and lifetimes of the lowest /sup 1/,/sup 3/P autoionizing states of He have been obtained to reasonable accuracy. This method has been extended to molecular problems, and the ab initio configuration interaction potential energy and width surfaces for the He(2/sup 3/S) + H/sub 2/ system have been obtained. Quantum mechanical close-coupling calculations of ionization cross sections using the complex V* - (i/2) GAMMA-potential have yielded rate constants in good agreement with the experimental results of Lindinger, et al. The potential energy surface of the He(2/sup 1/S) + H/sub 2/ system has also been obtained and exhibits not only a high degree of anisotropy, but also contains a relative maximum for a perpendicular (C/sub 2//sub v/) approach which appears to arise from s-p hybridization of the outer He orbital. However, similar ab initio calculations on the He(2/sup 1/S) + Ar system do not show such anomalous structure. In addition, the complex poles of the S-matrix (Siegert eigenvalues) were calculated for several autoionizing states of He and H/sup -/, with encouraging results even for quite modest basis sets. This method was extended to molecular problems, and results obtained for the He(2/sup 3/S) + H and He(2/sup 1/S) + H systems. 75 references.

  14. Observation of autoionization resonances in uranium by step-wise laser photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Manohar, K.G.; Bajaj, P.N.; Suri, B.M.; Talukdar, R.; Dasgupta, K.; Chakraborti, P.K.; Rao, P.R.K.

    1989-06-01

    A large number of autoionization resonances have been observed in uranium in the energy range 50,590-51,560 cm/sup -1/ by two-step three-photon ionization technique, using two copper vapor laser pumped dye lasers. A Rydberg series converging to the ionization limit of UII at 1749 cm/sup -1/ (/sup 6/L/sub 13/2/) has been identified. Some of these resonances are very narrow with a fwhm of 0.1 cm/sup -1/. Possible origins of these are discussed.

  15. Isotopically resolved photoelectron imaging unravels complex atomic autoionization dynamics by two-color resonant ionization.

    Science.gov (United States)

    O'Keeffe, P; Gryzlova, E V; Cubaynes, D; Garcia, G A; Nahon, L; Grum-Grzhimailo, A N; Meyer, M

    2013-12-13

    Angle-resolved electron spectroscopy in coincidence with high-resolution mass spectroscopy has been applied to study two-color resonant photoionization in atomic xenon. Separation of different isotopes enabled us to extract results for the electronic dynamics free from depolarization effects, which are generally introduced by the coupling of the electronic and nuclear angular momenta. The concerted experimental and theoretical analysis of the photoelectron angular distributions in the region of an autoionizing resonance emphasizes the strong sensitivity of the observed structures to the fine details of the treatment of the underlying dynamics.

  16. Non-LTE profiles of the Al I autoionization lines. [for solar model atmospheres

    Science.gov (United States)

    Finn, G. D.; Jefferies, J. T.

    1974-01-01

    A non-LTE formulation is given for the transfer of radiation in the autoionizing lines of neutral aluminum at 1932 and 1936 A through both the Bilderberg and Harvard-Smithsonian model atmospheres. Numerical solutions for the common source function of these lines and their theoretical line profiles are calculated and compared with the corresponding LTE profiles. The results show that the non-LTE profiles provide a better match with the observations. They also indicate that the continuous opacity of the standard solar models should be increased in this wavelength region if the center-limb variations of observed and theoretical profiles of these lines are to be in reasonable agreement.

  17. Femtosecond laser control of the angular distribution of electrons due to autoionization

    International Nuclear Information System (INIS)

    Bajema, M.L.; Jones, R.R.; Gallagher, T.F.

    2004-01-01

    Using two 500-fs laser pulses and a controlled time delay between them we are able to manipulate the angular distributions of the electrons ejected by autoionization of Ca atoms in the 4p 3/2 21s and 4p 3/2 19d states. Subsequent to their isolated core excitation by a 500-fs 393-nm laser pulse, Ca 4p 3/2 21s(19d) Rydberg atoms coherently evolve, via configuration interaction, into the degenerate 4p 1/2 ns(nd) states. While in the 4p 1/2 ns(nd) states atoms can be de-excited to bound 4sns(nd) levels using a 500-fs 397-nm pulse. Removing these atoms from the autoionizing states leads to a greater fraction of electrons leaving the atom along the direction of the laser polarization than is possible through direct excitation of 4 3/2 ns(nd) or 4p 1/2 ns(nd) using either the 393- or 397-nm pulse alone

  18. Angular correlation of autoionization electrons and photons emitted from collisionally aligned atomic states

    International Nuclear Information System (INIS)

    Eichler, J.; Fritsch, W.

    1976-01-01

    The angular correlation of autoionization electrons or of photons ejected from collisionally aligned excited atoms is calculated assuming unpolarized beam and target, and polarization-insensitive detectors. Starting from the two-step hypothesis for the formation and decay of the intermediate excited atoms, the angular correlation is expressed in terms of the density matrix describing the excited system. Using the symmetries of the density matrix, a minimal set of independent matrix elements is given and the conditions for which a complete determination of this set is experimentally possible are discussed. For the case of electron emission, simple examples are pointed out in which the angular correlation is independent of the reduced Coulomb matrix elements describing the decay. (author)

  19. Two-color spectroscopy of UV excited ssDNA complex with a single-wall nanotube probe: Fast nucleobase autoionization mechanism

    OpenAIRE

    Ignatova, Tetyana; Balaeff, Alexander; Zheng, Ming; Blades, Michael; Stoeckl, Peter; Rotkin, Slava V.

    2015-01-01

    DNA autoionization is a fundamental process wherein UV-photoexcited nucleobases dissipate energy by charge transfer to the environment without undergoing chemical damage. Here, single-wall carbon nanotubes (SWNT) are explored as a photoluminescent reporter for studying the mechanism and rates of DNA autoionization. Two-color photoluminescence spectroscopy allows separate photoexcitation of the DNA and the SWNTs in the UV and visible range, respectively. A strong SWNT photoluminescence quenchi...

  20. Identification of weak autoionizing resonances observed through fluorescence from the satellite states of Ar{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    McLaughlin, K.W.; Yenen, O.; Samson, J.A.R. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    Photoionization accompanied by excitation of the residual ionic state violates an independent electron model since, according to QED, photons interact only with individual electrons. By allowing measurements at a threshold event with high resolution, the observation of the fluorescence from the decay of these excited states (satellite states) is a sensitive method in the study of electron-electron interactions, providing complementary information to photoelectron spectroscopy. In the measurements reported here, an atomic beam of argon has been photoionized with 34 to 39 eV synchrotron radiation at beamline 9.0.1 of the Advanced Light Source. This energy range encompasses the 3p{sup 4} [{sup 3}P] 4p {sup 4}P, {sup 2}P, and {sup 2}D as well as the [{sup 1}D]4p {sup 2}F satellite states of Ar{sup +}. By observing the fine-structure resolved fluorescence from these satellite states, new Rydberg series and extensions of previously known series have been resolved with an energy resolution of 3 meV. With the high photon flux available from the high resolution monochromator of beamline 9.0.1, even the weakly excited [{sup 3}P] 4p ({sup 2}S) ns,d autoionizing structure has been observed for the first time.

  1. Identification of weak autoionizing resonances observed through fluorescence from the satellite states of Ar+

    International Nuclear Information System (INIS)

    McLaughlin, K.W.; Yenen, O.; Samson, J.A.R.

    1997-01-01

    Photoionization accompanied by excitation of the residual ionic state violates an independent electron model since, according to QED, photons interact only with individual electrons. By allowing measurements at a threshold event with high resolution, the observation of the fluorescence from the decay of these excited states (satellite states) is a sensitive method in the study of electron-electron interactions, providing complementary information to photoelectron spectroscopy. In the measurements reported here, an atomic beam of argon has been photoionized with 34 to 39 eV synchrotron radiation at beamline 9.0.1 of the Advanced Light Source. This energy range encompasses the 3p 4 [ 3 P] 4p 4 P, 2 P, and 2 D as well as the [ 1 D]4p 2 F satellite states of Ar + . By observing the fine-structure resolved fluorescence from these satellite states, new Rydberg series and extensions of previously known series have been resolved with an energy resolution of 3 meV. With the high photon flux available from the high resolution monochromator of beamline 9.0.1, even the weakly excited [ 3 P] 4p ( 2 S) ns,d autoionizing structure has been observed for the first time

  2. Even-parity Rydberg and autoionizing states of lutetium by laser resonance-ionization spectroscopy

    Science.gov (United States)

    Li, R.; Lassen, J.; Zhong, Z. P.; Jia, F. D.; Mostamand, M.; Li, X. K.; Reich, B. B.; Teigelhöfer, A.; Yan, H.

    2017-05-01

    Multistep laser resonance ionization spectroscopy of lutetium (Lu) has been performed at TRIUMF's off-line laser ion source test stand. The even-parity Rydberg series 6 s2n d 2D3 /2 , 6 s2n d 2D5 /2 , and 6 s2n s 2S1 /2 were observed converging to the 6 s2 ionization potential. The experimental results have been compared to those of previous work. Fifty-one levels of Rydberg series 6 s2n d 2D5 /2 and 52 levels of Rydberg series 6 s2n s 2S1 /2 were reported. Additionally, six even-parity autoionization (AI) series converging to Lu ionic states 5 d 6 s 3D1 and 5 d 6 s 3D2 were observed. The level energies of these AI states were measured. The configurations of the AI states were assigned by relativistic multichannel theory within the framework of multichannel quantum defect theory.

  3. Excitation of autoionizing states of helium by 100 keV proton impact: theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Benhenni, M.; Bordenave-Montesquieu, A. [Universite Paul Sabatier, Toulouse (France). Laboratoire Collisions, Agregats, Reactivite; Schipakov, V.A. [Troitsk Institute for Innovation and Fusion Research, Moscow (Russian Federation)

    1997-12-14

    A joint theoretical and experimental study of the excitation of the autoionizing (2s{sup 2}){sup 1}S, (2p{sup 2}){sup 1}D and (2s2p){sup 1}P states of helium by 100 keV proton impact is presented for the first time. The role of the three-body Coulomb interaction in the final state between the ejected electron, the scattered proton and the recoil helium ion is emphasized. Calculations have been carried out with inclusion of the three-body Coulomb interaction and within an expansion of a two-electron excitation amplitude in powers of projectile-target interaction up to the second order. A new parametrization is proposed to describe resonance profiles distorted by the Coulomb interaction in the final state (CIFS). New high-resolution (up to 68 meV) measurements of electron emission spectra made it possible to resolve the near-lying (2p{sup 2}){sup 1}D and (2s2p){sup 1}P resonances and reveal an evident distortion of the resonance profiles by CIFS for forward electron ejection angles below 40{sup o}. (author).

  4. Angular distributions of autoionization electrons from Ne(2p43s2) 1D in Li+-Ne collisions

    International Nuclear Information System (INIS)

    Oud, M.; Pas, S.F. te; Westerveld, W.B.; Niehaus, A.

    1993-01-01

    Angular distributions of autoionization electrons from Ne(2p 4 3s 2 ) 1 D due to Li + -Ne collisions measured in coincidence with the scattered projectile ions are presented. The measurements are performed at four different collision energies between 1.0 keV and 3.0 keV, and the complex population amplitudes for the excited 1 D state are determined. A nearly pure M = O sublevel population is found with respect to an axis coinciding with the direction of the angular distribution. The direction of the angular distribution is found to deviate from the final direction of the asymptotic internuclear axis. (author)

  5. Autoionization dynamics of excited collision systems: Angular dependence of the electron and ion energy spectra for He*(23S)+H

    International Nuclear Information System (INIS)

    Merz, A.; Ruf, M.; Hotop, H.

    1992-01-01

    We present the first angle-dependent energy spectra for the basic autoionization process He * (2 3 S)+H(1 2 S) leading to Penning ionization (→He+H + +e - ; PI) and associative ionization [→HeH + (v + ,J + )+e - ; AI]. Our results include electron energy spectra for both reaction channels and the H + -ion energy spectra for PI. The variation of the electron spectra with angle demonstrates the presence of substantial contributions from non-s-type electron partial waves, with the angle-dependent electron signals due to AI yielding clear information on the internal electron angular distribution of the autoionizing quasimolecule

  6. Coulomb focusing and path'' interference of autoionizing electrons produced in 10 keV He sup + + He collisions

    Energy Technology Data Exchange (ETDEWEB)

    Swenson, J.K. (Lawrence Livermore National Lab., CA (USA)); Burgdoerfer, J. (Tennessee Univ., Knoxville, TN (USA)); Meyer, F.W.; Havener, C.C.; Gregory, D.C.; Stolterfoht, N. (Oak Ridge National Lab., TN (USA))

    1991-03-13

    Autoionizing electrons emitted following low energy ion-atom collisions may scatter significantly from the receding spectator ion's attractive Coulomb field. In such cases the observed electron intensity is focused'' in the direction of the scattering ion as a result of the effective compression of the emission solid angle. In addition, interference may occur between trajectories, corresponding to electrons scattering around opposite sides of the ion, which lead to the same final laboratory electron energy and emission angle. This Coulomb path'' interference mechanism manifests itself in the uncharacteristically rapid angular dependence of the He target 2s{sup 2} {sup 1}S autoionizing state measured near 0{degree} following low energy He{sup +} + He collisions. A classical trajectory model for Coulomb focusing is presented and a semi-classical approximation is used to model the Coulomb path'' interference mechanism. In this description we account for the evolution of the phase of the autoionizing state until its decay and the path dependence of the amplitude of the emitted electron following decay of the autoionizing state. Calculated model lineshapes, which include contributions from adjacent overlapping resonances, reproduce quite well the angular dependence observed in the data near 0{degree}. 14 refs., 7 figs.

  7. Excitation of the helium autoionizing states in He/sup +/+He collisions, between 3 and 140 keV

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Gleizes, A.; Benoit-Cattin, P.

    1982-01-01

    The autoionization of the helium atom has been experimentally studied in He/sup +/+He collisions between 3 and 140 keV by electron spectrometry. The excitation of the two collision partners has been considered. Above 10 keV, the shapes and excitation cross sections of the 2s/sup 2/ /sup 1/S, 2s2p /sup 3/P, 2p/sup 2/ /sup 1/D, and 2s2p /sup 1/P are determined by a numerical fitting procedure which is reported in detail; below 10 keV the (/sup 1/D+/sup 1/P), and 2p/sup 2/ /sup 1/S line intensities are obtained by planimetry since important post-collision effects are observed. From the angular distributions measured below 15 keV, the relative sublevel populations are deduced for the 2p/sup 2/ /sup 1/D and 2s2p/sup 1/ P levels and are compared with those obtained by other authors in a coincidence experiment; the excitation processes are then discussed within the quasimolecular-excitation model. For the highest collision energies, the asymmetry of the angular distributions with respect to 90 /sup 0/ as well as the line shapes above 100 keV are interpreted by the occurrence of sudden electronic transitions to the continuum. A comparison of the differential cross sections for emission of electrons by autoionization of the fast and slow particles permits us to show that the quasimolecule model cannot explain what is observed above a collision velocity of about 0.5 a.u. The dependence of the total cross sections against the collision energy is also discussed in terms of an evolution of the excitation mechanism from a quasimolecular to an atomic one; the specific variation of the 2s2p /sup 3/P cross section strengthens this interpretation. These total cross sections are compared with those estimated from earlier H/sup +/+He data published by us; similar autoionization cross-section values are expected for the two systems at high collision velocity.

  8. Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) ions

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

    1983-01-01

    Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found.

  9. Excitation of autoionizing states of helium by 100 keV proton impact: II. Excitation cross sections and mechanisms of excitation

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L. [Department of Physics, Tulane University, New Orleans, LA 70118-5698 (United States); Ivanov, P.B.; Schipakov, V.A. [Troitsk Institute of Innovation and Fusion Research Troitsk, Moscow region, 142092 (Russian Federation); Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589, CNRS-Universite Paul Sabatier, 31062 Toulouse Cedex (France)

    2000-03-14

    Mechanisms of two-electron excitation of the (2s{sup 2}){sup 1} S, (2p{sup 2} ){sup 1} D and (2s2p){sup 1} P autoionizing states of helium are studied both experimentally and theoretically. It is shown that an explicit introduction of a kinematic factor, with a process-specific phase leads to a productive parametrization of experimental cross sections of ionization, allowing one to extract cross sections of excitation of autoionizing states. Using a new fitting procedure together with the proposed parametrization made it possible to obtain the excitation cross sections and magnetic sublevel population from electron spectra as well as, for the first time, to resolve the contribution of resonance and interference components to resonance profiles. Interference with direct ionization is shown to contribute significantly into resonance formation even for backward ejection angles. We demonstrate theoretically that the excitation cross sections thus extracted from experimental electron spectra hold information about the interaction of autoionizing states with an adjacent continuum. (author)

  10. Observation of Cd 4d95s25p J=3 autoionizing levels in (e,2e) energy spectra

    International Nuclear Information System (INIS)

    Martin, N.L.S.; Bauman, R.P.; Wilson, M.

    1998-01-01

    Cadmium (e,2e) energy spectra have been measured for kinematics corresponding to a momentum transfer of 1 a.u. Two previously unknown cadmium autoinizing levels have been observed. Their energies are in excellent agreement with existing ab initio structure calculations of the 4d 9 5s 2 5p J=3 levels. One level is easily seen at an ejected-electron direction along the momentum-transfer axis, but is absent for a direction 39 degree away from this axis. The opposite is true for the other level; it is absent in the former, but present in the latter case. This behavior is in agreement with a calculation that takes into account that the J=3 levels can autoionize into both singlet and triplet 5sEf continua. The intensity of the new levels, relative to the well-known 4d 9 5s 2 5p J=1 levels, agrees well with a plane-wave Born approximation calculation for the J=3 levels. The third 4d 9 5s 2 5p J=3 level is calculated to lie within the broad 4d 9 5s 2 5p 1 P 1 level and cannot be seen in the present experiments. copyright 1998 The American Physical Society

  11. Near-threshold electron-impact excitation of the (2p53s2)2P3/2,1/2 autoionizing states in sodium

    International Nuclear Information System (INIS)

    Borovik, A; Zatsarinny, O; Bartschat, K

    2008-01-01

    The ejected-electron excitation functions of the J = 3/2, 1/2 components of the (2p 5 3s 2 ) 2 P leading autoionizing doublet in sodium atoms were measured at an incident electron energy resolution of 0.25 eV over the incident electron energy range from the lowest excitation threshold up to 36 eV. On the basis of 56-state R-matrix (close-coupling) calculations, the observed strong near-threshold structures were classified as negative-ion resonances with likely configurations 2p 5 3s 2 3p and 2p 5 3s3p 2

  12. The identification of autoionizing states of atomic chromium for the resonance ionization laser ion source of the ISOLDE radioactive ion beam facility

    CERN Document Server

    Goodacre, T Day; Fedorovc, D; Fedosseev, V N; Marsh, B A; Molkanov, P; Rossel, R E; Rothe, S; Seiffert, C

    2015-01-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source resonance ionization spectroscopy, an optimal three-step, three-resonance photo-ionization scheme has been developed for chromium. The scheme uses an ionizing transition to one of the 14 newly observed autoionizing states. This work increases the range of ISOLDE-RILIS ionized beams to 32 chemical elements. Details of the spectroscopic studies are described and the new ionization scheme is summarized. A link to the complete version of this document will be added here following publication:

  13. Autoionization of Be-like ions following double electron capture in C sup 4+ , O sup 6+ and Ne sup 8+ ions

    Energy Technology Data Exchange (ETDEWEB)

    McDonald, J.W.

    1990-09-11

    This paper describes electron emission following the autoionization of doubly excited states in Be-like ions. The Be-like Auger states are produced by two electron capture in slow C{sup 4+}, O{sup 6+} and Ne{sup 8+} ions. These measurements were performed by means of high resolution Auger electron spectroscopy on different target gases and at different projectile energies. Line assignments and relative cross sections are given for the investigated doubly excited states and the excitation mechanism is discussed. 15 refs., 16 figs., 4 tabs.

  14. Systematic investigation of electron impact excitation-autoionization from the ground state of highly charged GaI-like ions through ΔN=1 transitions

    International Nuclear Information System (INIS)

    Oreg, J.; Bar-Shalom, A.; Mandlebaum, P.; Mittnik, D.; Meroz, E.; Schwob, J.L.; Klapisch, M.

    1991-01-01

    A systematic variation in the line intensity ratios of GaI-like and ZnI-like ions of rare earth elements has been recently observed in spectra emitted in a low density, high temperature tokamak plasma. This variation is shown to be correlated with the gradual opening of autoionizing channels through inner-shell excited configurations of the GaI-like charge-state. These channels enhance the indirect ionization rate of GaI-like ions through excitation-autoionization (EA), effecting the ionization balance and temperatures of greatest abundance. We present a systematic investigation of EA and direct impact ionization (DI) in the GaI-like isoelectronic sequence from Mo (Z = 42) to Dy (Z = 66). As Z decreases from Dy to Pr (Z = 59) the levels of the configuration 3d 9 4p4f, which are excited from the ground state by strong dipole collisional transitions, gradually cross the first ionization limit of the ion and are responsible for this ionization enhancement. When Z decreases further an additional channel is opened through the configuration 3d 9 4p4d. 9 refs., 3 figs., 1 tab

  15. Systematic investigation of electron impact excitation-autoionization from the ground state of highly charged GaI-like ions through ΔN = 1 transitions

    International Nuclear Information System (INIS)

    Oreg, J.; Bar-Shalom, A.; Goldstein, W.H.; Mandlebaum, P.; Mittnik, D.; Meroz, E.; Schwob, J.L.; Klapisch, M.

    1991-01-01

    A systematic variation in the line intensity ratios of GaI-like and ZnI-like ions of rare earth elements has been recently observed in spectra emitted in a low density, high temperature Tokamak plasma. This variation is shown to be correlated with the gradual opening of autoionizing channels through inner-shell excited configurations of the GaI-like charge-state. These channels enhance the indirect ionization rate of GaI-like ions through excitation-autoionization (EA), effecting the ionization balance and temperatures of greatest abundance. The authors a systematic investigations of EA and direct impact ionizations (DI) in the GaI-like isoelectronic sequence from Mo (Z = 42) to Dy (Z = 66). As Z decreases from Dy to Pr (Z = 59) the levels of the configuration 3d 9 4p4f, which are excited from the ground state by strong dipole collisional transitions, gradually cross the first ionization limit of the ion and are responsible for this ionization enhancement. When Z decreases further an additional channel is opened through the configuration 3d 9 4p4d

  16. Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications

    Science.gov (United States)

    Liao, Chen-Ting; Li, Xuan; Haxton, Daniel J.; Rescigno, Thomas N.; Lucchese, Robert R.; McCurdy, C. William; Sandhu, Arvinder

    2017-04-01

    We used extreme ultraviolet (XUV) transient absorption spectroscopy to study the autoionizing Rydberg states of oxygen in an electronically- and vibrationally-resolved fashion. XUV pulse initiates molecular polarization and near-infrared pulse perturbs its evolution. Transient absorption spectra show positive optical-density (OD) change in the case of n s σg and n d πg autoionizing states of oxygen and negative OD change for n d σg states. Multiconfiguration time-dependent Hartree-Fock (MCTDHF) calculations are used to simulate the transient absorption and the resulting spectra and temporal evolution agree with experimental observations. We model the effect of near-infrared perturbation on molecular polarization and find that the laser-induced phase-shift model agrees with the experimental and MCTDHF results, while the laser-induced attenuation model does not. We relate the electronic-state-symmetry-dependent sign of the OD change to the Fano parameters of the static absorption line shapes.

  17. Vibrational autoionization of state-selective jet-cooled methanethiol (CH3SH) investigated with infrared vacuum-ultraviolet photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Min; Sen, Zhitao; Pratt, S. T.; Lee, Yuan-Pern

    2017-11-21

    Vibrational autoionization of Rydberg states provides key information about nonadiabatic processes above an ionization threshold. We employed time-of-flight mass detection of CH3SH+ to record vibrational-state selective photo-ionization efficiency (PIE) spectra of jet-cooled methanethiol (CH3SH) on exciting CH3SH to a specific vibrationally excited state with an infrared (IR) laser, followed by excitation with a tunable laser in the vacuum-ultraviolet (VUV) region for ionization. Autoionizing Rydberg states assigned to the ns, np, nd and nf series are identified. When IR light at 2601 (ν3, SH stretching mode) and 2948 cm-12, CH3 symmetric stretching mode) was employed, the Rydberg series converged to the respective vibrationally excited (ν3 and ν2) states of CH3SH+. When IR light at 3014 cm-1 (overlapped ν19, CH3 antisymmetric stretching and CH2 antisymmetric stretching modes) was employed, two converging limits towards vibrationally excited states (ν1 and ν9) of CH3SH+ were observed. In contrast, when IR light at 2867 cm-1 (2ν10, overtone of CH3 deformation mode) and 2892 cm-1 (2ν4, overtone of CH2 scissoring mode) was employed, both Δν = -1 and Δν = -2 ionization transitions were observed; there is evidence for direct ionization from the initial state into the CH3SH+ (v4+ = 1) continuum. In all observed IR-VUV-PIE spectra, the ns and nd series show intensity greater than the other Rydberg series, which is consistent with the fact that the highest-occupied molecular orbital of CH3SH is a p-like lone pair orbital on the S atom. The quantum yields for autoionization of various vibrational excited states are discussed.

  18. Three-colour photoionization optogalvanic spectroscopy in U-Ne hollow cathode discharges: observation of even-parity autoionization states of uranium

    International Nuclear Information System (INIS)

    Mandal, P.K.; Seema, A.U.; Das, R.C.; Shah, M.L.; Dev, Vas; Suri, B.M.

    2013-01-01

    Three-colour three-step photoionization spectroscopy of uranium has been performed in a U-Ne hollow cathode discharge tube by temporally resolving three-colour photoionization optogalvanic (PIOG) signal from the normal optogalvanic (OG) signal using three tunable pulsed dye lasers. U-Ne hollow cathode discharge tube has been used as a source of uranium atomic vapour and photoionization detector. Using this technique, photoionization spectra of uranium have been investigated systematically in the energy region 52150-52590 cm -1 , through three different excitation pathways, originating from its ground state, 0 cm -1 ( 5 L 0 6 ). By analyzing the three-colour photoionization spectra sixty new even-parity autoionization resonances of uranium have been identified and their probable total angular momentum (J) values have been assigned according to the J-momentum selection rule. (author)

  19. Excitation energies, radiative and autoionization rates, dielectronic satellite lines, and dielectronic recombination rates for excited states of Rb-like W from Kr-like W [Relativistic atomic data for Rb-like tungsten

    International Nuclear Information System (INIS)

    Safronova, University I.; Safronova, A. S.; Beiersdorfer, P.

    2016-01-01

    Energy levels, radiative transition probabilities, and autoionization rates for [Ni]4s 2 4p 6 nl, [Ni]4s 2 4p 5 4l ′ nl (l ′ =d,f,n = 4–7), [Ni]4s4p 6 4l ′ nl, (l ′ =d,f,n = 4–7), [Ni]4s 2 4p 5 5l ′ nl (n = 5–7), and [Ni]4s4p 6 6l ′ nl (n = 6–7) states in Rb-like tungsten (W37+) are calculated using the relativistic many-body perturbation theory method (RMBPT code) and the Hartree–Fock-relativistic method (COWAN code). Autoionizing levels above the [Ni]4s 2 4p 6 threshold are considered. It is found that configuration mixing among [Ni]4s 2 4p 5 4l ′ nl and [Ni]4s4p 6 4l ′ nl plays an important role for all atomic characteristics. Branching ratios relative to the first threshold and intensity factors are calculated for satellite lines, and dielectronic recombination (DR) rate coefficients are determined for the [Ni]4s 2 4p 6 nl (n = 4–7) singly excited states, as well as the [Ni]4s 2 4p 5 4dnl, [Ni]4s 2 4p 5 4fnl, [Ni]4s4p 6 4dnl, [Ni]4s 2 4p 6 4fnl, (n = 4–6), and [Ni]4s 2 4p 5 5l ′ 5l doubly excited nonautoionizing states in Rb-like W37+ ion. Contributions from the [Ni]4s24p 6 4fnl (n = 6–7), [Ni]4s 2 4p 5 5l ′ nl (n = 5–6), and [Ni]4s 2 4p 5 6l ′ nl (n = 6–7) doubly excited autoionizing states are evaluated numerically. The high-n state (with n up to 500) contributions are very important for high temperatures. These contributions are determined by using a scaling procedure. Synthetic dielectronic satellite spectra from Rb-like W are simulated in a broad spectral range from 8 to 70 Å. Here, these calculations provide highly accurate values for a number of W 37+ properties useful for a variety of applications including for fusion applications.

  20. Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n//sup +/ (N = 1,2,3) ions

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

    1983-01-01

    Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n//sup +/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found. The measurements were performed in a crossed-beam scattering chamber. The target-gas pressure was in the order of 10/sup -4/ Torr. The secondary electrons have been energy analyzed by a 45/sup 0/ parallel-plate analyzer. Results are presented and discussed. (WHK)

  1. Nonadiabatic electron wavepacket dynamics behind molecular autoionization

    Science.gov (United States)

    Matsuoka, Takahide; Takatsuka, Kazuo

    2018-01-01

    A theoretical method for real-time dynamics of nonadiabatic reorganization of electronic configurations in molecules is developed, with dual aim that the intramolecular electron dynamics can be probed by means of direct and/or indirect photoionizations and that the physical origins behind photoionization signals attained in the time domain can be identified in terms of the language of time-dependent quantum chemistry. In doing so, we first formulate and implement a new computational scheme for nonadiabatic electron dynamics associated with molecular ionization, which well fits in the general theory of nonadiabatic electron dynamics. In this method, the total nonadiabatic electron wavepackets are propagated in time directly with complex natural orbitals without referring to Hartree-Fock molecular orbitals, and the amount of electron flux from a molecular region leading to ionization is evaluated in terms of the relevant complex natural orbitals. In the second half of this paper, we apply the method to electron dynamics in the elementary processes consisting of the Auger decay to demonstrate the methodological significance. An illustrative example is taken from an Auger decay starting from the 2a1 orbital hole-state of H2O+. The roles of nuclear momentum (kinetic) couplings in electronic-state mixing during the decay process are analyzed in terms of complex natural orbitals, which are schematically represented in the conventional language of molecular symmetry of the Hartree-Fock orbitals.

  2. Autoionization study of the Argon 2p satellites excited near the argon 2s threshold

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H.; Glans, P.; Hemmers, O. [Univ. of Nevada, Las Vegas, NV (United States)] [and others

    1997-04-01

    The dynamics of near-threshold photoionization is a complex phenomenon in which the many-electron character of the wavefunctions plays an important role. According to generalized time-independent resonant scattering theory, the transition matrix element from an initial state to a final state is the summation of the amplitudes of direct photoionization and an indirect term in which intermediate states are involved and the resonant behavior is embedded. Studies of the interference effects of intermediate states have been explored in the cases where the direct term is negligible. In the present work, electron time-of-flight spectra of the Ar 2p satellites were measured at two angles (magic and 0{degrees}) in the dipole plane with the exciting photon energy tuned in the vicinity of the Ar 2s threshold. For excitation far below or above the 2s threshold, the 2p satellites spectrum is dominated by 3p to np shakeup contributions upon the ionization of a 2p electron.

  3. State-specific reactions and autoionization dynamics of Ar2+ produced by synchrotron radiation

    Czech Academy of Sciences Publication Activity Database

    Franceschi, P.; Thissen, R.; Dutuit, O.; Alcaraz, Ch.; Soldi-Lose, H.; Bassi, D.; Ascenzi, D.; Tosi, P.; Žabka, Ján; Herman, Zdeněk; Coreno, M.; De Simone, M.

    2009-01-01

    Roč. 280, 1-3 (2009), s. 119-127 ISSN 1387-3806 R&D Projects: GA AV ČR IAA400400702 Institutional research plan: CEZ:AV0Z40400503 Keywords : argon * dications * photoionization * ion molecule reaction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.117, year: 2009

  4. Metastable Autoionizing States of Molecules and Radicals in Highly Energetic Environment

    Science.gov (United States)

    2016-03-22

    molecular shape resonances. By analyzing analytic energy expression, we discovered a simple yet efficient de-perturbative correction that eliminates the...Barak Hirshberg. Calculations predict a stable molecularcrystal of N8, Nature Chemistry , (01 2014): 52. doi: TOTAL: 6 Number of Papers published...Lowdin Lecturer (Uppsala); 2012 Fellow, American Association for the Advancement of Science; 2012 ACS Physical Chemistry Division Award in

  5. COINCIDENCE MEASUREMENTS BETWEEN ELECTRONS FROM PROJECTILE AUTOIONIZATION AND TARGET IONS IN SPECIFIC CHARGE STATES

    NARCIS (Netherlands)

    POSTHUMUS, JH; LUKEY, P; MORGENSTERN, R

    1991-01-01

    For Ar9+ collisions on Ar we have - by means of a coincidence method - identified the number of primarily transferred electrons leading eventually to the emission of projectile Auger electrons at various energies. Auger cascades are found to play an important role: most of the high energy electrons

  6. Long-time joint spectra and entanglement of two photoelectrons originating in interacting auto-ionization systems

    Czech Academy of Sciences Publication Activity Database

    Peřina ml., Jan; Lukš, A.; Leoński, W.

    2015-01-01

    Roč. 48, č. 11 (2015), s. 115007 ISSN 0953-4075 Institutional support: RVO:68378271 Keywords : two-electron ionization spectra * auto -ionization * dipole-dipole interaction * Fano model * bipartite entanglement * quadratic negativity Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.833, year: 2015

  7. XUV Emission from Autoionizing Hole States Induced by Intense XUV-FEL at Intensities up to 1017 W/cm.sup.2./sup..

    Czech Academy of Sciences Publication Activity Database

    Rosmej, F.B.; Galtier, E.; Riley, D.; Dzelzainis, T.; Heinmann, P.; Khattak, F.Y.; Lee, W.; Nagler, B.; Nelson, A.; Tschentscher, T.; Vinko, S.M.; Whitcher, T.; Toleikis, S.; Fäustlin, R.; Soberierski, R.; Juha, Libor; Fajardo, M.; Wark, J. S.; Chalupský, Jaromír; Hájková, Věra; Krzywinski, J.; Jurek, M.; Kozlová, Michaela

    2010-01-01

    Roč. 244, č. 4 (2010), s. 1-4 ISSN 1742-6588. [International Conference on Inertial Fusion Sciences and Applications /6./. San Francisco, 06.09.2009-11.09.2009] R&D Projects: GA ČR GAP208/10/2302; GA MŠk LA08024; GA AV ČR IAAX00100903; GA MŠk(CZ) ME10046 Institutional research plan: CEZ:AV0Z10100523 Keywords : X-ray lase * free-electron laser * warm dense matter, * emission spectrometry Subject RIV: BH - Optics, Masers, Lasers

  8. Stereodynamics in the Collisional Autoionization of Water, Ammonia, and Hydrogen Sulfide with Metastable Rare Gas Atoms: Competition Between Intermolecular Halogen and Hydrogen Bonds.

    Science.gov (United States)

    Falcinelli, Stefano; Bartocci, Alessio; Cavalli, Simonetta; Pirani, Fernando; Vecchiocattivi, Franco

    2016-01-11

    Recent experiments on the title subject, performed with a high-resolution crossed-beam apparatus, have provided the total ionization cross sections as a function of the collision energy between noble gas atoms, electronically excited in their metastable states (Ng*), and H2 O, H2 S, and NH3 reagents, as well as the emitted electron energy spectra. This paper presents a rationalization of all the experimental findings in a unifying picture to cast light on the basic chemical properties of Ng* under conditions of great relevance both from a fundamental and from an applied point of view. The importance of this investigation is that it isolates the selective role of the intermolecular halogen and hydrogen bonds, to assess their anisotropic effects on the stereodynamics of the promoted ionization reactions, and to model energy transfer and reactivity in systems of applied interest, such as planetary atmospheres, plasmas, lasers, and flames. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. The conversion of resonances to bound states in the presence of a Coulomb potential and the computation of autoionization lifetimes from quantum defects

    Science.gov (United States)

    Lucchese, Robert; McCurdy, C. W.; Rescigno, T. N.

    2017-04-01

    The conversion of resonant metastable states to bound states with changing potential strength in the presence of a Coulomb potential proceeds by a mechanism fundamentally different from the same process in the case of short-range potentials. This phenomenon, which can accompany changes in molecular geometry, is central to the physics of the process of dissociative recombination of electrons with molecular cations. We verify computationally that there is no direct connection between a resonance pole of the S-matrix and the bound state poles for several model problems. We present a detailed analysis of the analytic structure of the scattering matrix in which the resonance pole remains distinct in the complex plane while a new state appears in the bound state spectrum. Nonetheless, as might be expected from quantum-defect theory, there is a close analytic relation between the resonant behavior of scattering at positive energies and the energies of the bound states. This connection allows the width of a resonance at low energies to be calculated directly from the behavior of the quantum defects with changing potential strength or molecular geometry. US-DOE, OBES, Chemical Sciences, Geosciences, and Biosciences Division.

  10. Quantum electrodynamic effects for light and heavy nuclei

    International Nuclear Information System (INIS)

    Anon.

    1973-01-01

    The autoionization of positrons and the problem of vacuum polarization are discussed within the framework of quantum field theory. Various possible heavy ion experiments to check on the nonlinearity of electrodynamics are described. (8 figures) (U.S.)

  11. Doubly and triply excited states for different plasma sources

    International Nuclear Information System (INIS)

    More, R.M.; Safronova, U.I.

    2000-01-01

    Autoionizing rates of doubly excited states as nln'l' configurations with n=2-9 and n'=2-9 are calculated. Analytical expressions of decay amplitude for two-electron system are derived. Expressions for autoionizing rates with averaging over LS are obtained for many-electron systems. The n and l dependence of doubly excited states as nln'l' configurations are investigated. (author)

  12. Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations

    Science.gov (United States)

    Medišauskas, Lukas; Morales, Felipe; Palacios, Alicia; González-Castrillo, Alberto; Plimak, Lev; Smirnova, Olga; Martín, Fernando; Ivanov, Misha Yu

    2015-05-01

    We present an analytical model based on the time-dependent WKB approximation to reproduce the photoionization spectra of an H2 molecule in the autoionization region. We explore the nondissociative channel, which is the major contribution after one-photon absorption, and we focus on the features arising in the energy differential spectra due to the interference between the direct and the autoionization pathways. These features depend on both the timescale of the electronic decay of the autoionizing state and the time evolution of the vibrational wavepacket created in this state. With full ab initio calculations and with a one-dimensional approach that only takes into account the nuclear wavepacket associated to the few relevant electronic states we compare the ground state, the autoionizing state, and the background continuum electronic states. Finally, we illustrate how these features transform from molecular-like to atomic-like by increasing the mass of the system, thus making the electronic decay time shorter than the nuclear wavepacket motion associated with the resonant state. In other words, autoionization then occurs faster than the molecular dissociation into neutrals.

  13. The neon Auger spectrum produced by ion bombardment of aluminium and silicon surfaces

    International Nuclear Information System (INIS)

    Gallon, T.E.; Nixon, A.P.

    1992-01-01

    Measurements are reported of the Auger (autoionization) spectrum of Ne produced by bombarding A1 and Si surfaces with Ne + ions with energies in the range 400 eV to 5 keV. The shift in the Ne peak energies with incident ion energy is shown to follow a very simple Doppler model. The data are found to contain many small Auger peaks in addition to the two characteristic peaks recorded by previous workers. This new structure is shown to be consistent with gas-phase data and with measurements of the autoionizing states in Ne I. (Author)

  14. Accelerated Recombination in Cold Dense Plasmas with Metastable Ions due to Resonant Deexcitation

    International Nuclear Information System (INIS)

    Ralchenko, Yu.V.; Maron, M.

    2001-01-01

    In a recombining plasma the metastable states are known to accumulate population thereby slowing down the recombination process. We show that a proper account of the doubly-excited autoionizing states, populated through collisional 3-body recombination of metastable ions, results in a significant acceleration of recombination. 3-body recombination followed by collisional (de)excitations and autoionization effectively produces deexcitation via the following chain of elementary events: A fully time-dependent collisional-radiative (CR) modeling for stripped ions of carbon recombining in a cold dense plasma demonstrates an order of magnitude faster recombination of He-like ions. The CR model used in calculations is discussed in details

  15. First Double Excitation Cross Sections of Helium Measured for 100-keV Proton Impact

    Energy Technology Data Exchange (ETDEWEB)

    Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589, CNRS and Universite Paul Sabatier, 31062 Toulouse Cedex (France); Godunov, A.L.; Schipakov, V.A. [Troitsk Institute for Innovation and Fusion Research, Troitsk, Moscow region, 142092 (Russia)

    1997-12-01

    Excitation cross sections of the (2s{sup 2}){sup 1}S, (2p{sup 2}){sup 1}D , and (2s2p){sup 1}P autoionizing states of helium, produced in collisions with 100-keV protons, have been measured for the first time. Using a high resolution electron spectroscopy together with a recently proposed parametrization of autoionizing resonances distorted by Coulomb interaction in the final state makes it possible to extract from electron spectra {ital total cross sections} as well as {ital magnetic sublevel populations.} These new experimental data are briefly compared with out theoretical calculations. {copyright} {ital 1997} {ital The American Physical Society}

  16. On the effects of the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian

    International Nuclear Information System (INIS)

    Badnell, N.R.

    1997-01-01

    We have incorporated the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian, namely contact spin-spin, two-body Darwin and orbit-orbit, into the program AUTOSTRUCTURE. Illustrative results are presented, including some for reactions involving the process of autoionization. (author)

  17. Interactions between electrons in the field of a positive ion

    International Nuclear Information System (INIS)

    Heideman, A.G.M.; Eck, J. van.

    1976-01-01

    Recent studies on the (auto)ionization of atoms by means of electron-atom collisions reveal the existence of phenomena probably brought about by post-collision interactions in the vicinity of a positive ion. In this article, a review of the subject is given in relation to the research program of the Utrecht atomic physics group

  18. Electron impact ionization of multicharged ions

    International Nuclear Information System (INIS)

    Crandall, D.H.; Hasselquist, B.E.; Phaneuf, R.A.; Gregory, D.C.

    1979-01-01

    Cross sections were measured with a crossed-beams apparatus. Results for e - + N 4+ → N 5+ + 2e - and e - + O 4+ → O 5+ + 2e - are shown from 100 to 2000 eV. The contribution of excitation-autoionization is noted. 2 figures

  19. Contribution to the study of highly excited states of the uranium atom

    International Nuclear Information System (INIS)

    Blancard, Pierre.

    1979-01-01

    Study of highly excited states and some autoionized states of uranium and particularly Rydberg states and behavior in a continuous electric field. The experimental equipment consists of three dye lasers allowing atom ionization or excitation in several steps. The aim is the study of a uranium enrichment process by lasers [fr

  20. FAC: Flexible Atomic Code

    Science.gov (United States)

    Gu, Ming Feng

    2018-02-01

    FAC calculates various atomic radiative and collisional processes, including radiative transition rates, collisional excitation and ionization by electron impact, energy levels, photoionization, and autoionization, and their inverse processes radiative recombination and dielectronic capture. The package also includes a collisional radiative model to construct synthetic spectra for plasmas under different physical conditions.

  1. Multi-step laser spectroscopy in atomic uranium

    International Nuclear Information System (INIS)

    Solarz, R.W.; Paisner, J.A.; Carlson, L.R.; May, C.A.; Johnson, S.A.

    1975-01-01

    The use of multistep photoionization techniques to measure lifetimes, cross sections, and branching ratios in uranium is described. The measurement of autoionization behavior, the assignment of new levels, and the observation of Rydberg states are also described. Experimental data are presented for all parameters

  2. Synchrotron light sources: The search for quantum chaos

    Energy Technology Data Exchange (ETDEWEB)

    Schlachter, Fred

    2001-02-01

    A storage ring is a specialized synchrotron in which a stored beam of relativistic electrons produces radiation in the vuv and x-ray regions of the spectrum. High-brightness radiation is used at the ALS to study doubly excited autoionizing states of the helium atom in the search for quantum chaos.

  3. Detuning effect in multistep photo-ionization of atomic isotope of heavy element

    International Nuclear Information System (INIS)

    Wakaida, Ikuo; Akaoka, Katsuaki; Miyabe, Masabumi; Oba, Masaki; Arisawa, Takashi

    1995-01-01

    Detuning effect on the excitation wavelength in 3-step photoionization of atomic isotope of heavy element was experimentally obtained and the role of the isotope shift and hyperfine structure in each transition level was discussed. To achieve high selectivity, the combination of the HFS and isotope sift of upper and lower energy level including the autoionizing level was important. (author)

  4. Understanding Chemical Equilibrium Using Entropy Analysis: The Relationship between [delta]S[subscript tot](sys[superscript o]) and the Equilibrium Constant

    Science.gov (United States)

    Bindel, Thomas H.

    2010-01-01

    Entropy analyses as a function of the extent of reaction are presented for a number of physicochemical processes, including vaporization of a liquid, dimerization of nitrogen dioxide, and the autoionization of water. Graphs of the total entropy change versus the extent of reaction give a visual representation of chemical equilibrium and the second…

  5. Atomic and Molecular Complex Resonances from Real Eigenvalues Using Standard (Hermitian) Electronic Structure Calculations

    Czech Academy of Sciences Publication Activity Database

    Landau, A.; Haritan, I.; Kaprálová-Žďánská, Petra Ruth; Moiseyev, N.

    2016-01-01

    Roč. 120, č. 19 (2016), s. 3098-3108 ISSN 1089-5639 R&D Projects: GA MŠk(CZ) LG13029 Institutional support: RVO:68378271 Keywords : autoionizing states * coordinate calculation * scattering resonances Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.847, year: 2016

  6. Theoretical studies on the interaction and dynamics in the colisional systems Hg+Li,Na,P and Ar*(4s3P2,0)+Hg,H

    International Nuclear Information System (INIS)

    Thiel, L.

    2004-01-01

    The central aim of this work is the detailed theoretical characterization of the autoionization process in collisions of metastable argon atoms with mercury and hydrogen atoms, Ar * (4s 3 P 2,0 ) + Hg and Ar * (4s 3 P 2,0 ) + H(1s). The autoionization process in the collision complexes Ar * (4s 3 P 2,0 ) + Hg und Ar * (4s 3 P 2,0 ) + H(1s) was investigated using the local complex potential approximation. Within this approach the entrance channel is described by a complex resonance potential whose imaginary part - the socalled autoionization width describes the ionization probability as a function of the internuclear distance. For both investigated systems, this work presents the first ab initio treatment of the autoionization process. In the collision complex Ar * + Hg, the asymptote of the entrance channel lies energetically above the asymptote of the exit channel Ar + Hg + . Both Penning ionization (PI) Ar * + Hg → Ar + Hg + + e - and associative ionization (AI) Ar * + Hg → ArHg + + e - are possible at thermal collision energies. The resonance potential and the autoionization width which describe the entrance channel were determined in MRCI calculations in which the resonance state was de- fined through Feshbach projection based on orbital occupancy. Taking the spin-orbit interaction in the Ar + core into account, the calculated complex potentials are able to reproduce the available experimental data such as the absolute ionization cross sections, the collision energy dependence of the relative cross sections for Penning and assoziative ionization and the electron energy spectra. (orig.)

  7. Strong enhancement of Penning ionization for asymmetric atom pairs in cold Rydberg gases: the Tom and Jerry effect

    KAUST Repository

    Efimov, D K

    2016-05-18

    We consider Penning ionization of Rydberg atom pairs as an Auger-type process induced by the dipole-dipole interaction and employ semiclassical formulae for dipole transitions to calculate the autoionization width as a function of the principal quantum numbers, n d, n i, of both atoms. While for symmetric atom pairs with the well-known increase of the autoionization width with increasing n 0 is obtained, the result for asymmetric pairs is counterintuitive - for a fixed n i of the ionizing atom of the pair, the autoionization width strongly increases with decreasing n d of the de-excited atom. For H Rydberg atoms this increase reaches two orders of magnitude at the maximum of the n d dependence, and the same type of counterintuitive behavior is exhibited also by Na, Rb and Cs atoms. This is a purely quantum-mechanical effect, which points towards existence of optimal (we call them \\'Tom\\' and \\'Jerry\\' for \\'big\\' and \\'small\\') pairs of Rydberg atoms with respect to autoionization efficiency. Building on the model of population redistribution in cold Rydberg gases proposed in [1], we demonstrate that population evolution following the initial laser excitation of Rydberg atoms in state n 0 would eventually lead to the formation of such Tom-Jerry pairs with which feature autoionization widths that are enhanced by several orders of magnitude compared to that of two atoms in the initial laser-excited state n 0. We also show that in the high-density regime of cold Rydberg gas experiments the ionization rate of Tom-Jerry pairs can be substantially larger than the blackbody radiation-induced photoionization rate. © 2016 IOP Publishing Ltd.

  8. Resonance-ionization mass spectrometry of uranium and neptunium. Resonanz-Ionisations-Massenspektrometrie an Uran und Neptunium

    Energy Technology Data Exchange (ETDEWEB)

    Sattelberger, P.

    1990-01-01

    The laser resonant three-stage photoionization with subsequent time-of-flight mass analysis of uranium and neptunium was studied. For uranium, excitation schemes were sought which, in addition to excitation from the initial state, permit the depopulation of a thermally occupied state at 620.3 cm{sup -1}. By means of narrow-band laser light, a large number of autoionizing states above the ionization limit could be found. For {sup 235}U the hyperfine structural splitting of transitions was studied. The examined inner atomic transitions showed a great isotopy shift between {sup 235}U and {sup 236}U which even permitted selective ionization of the individual isotopes. Preliminary measurements of neptunium resulted in autoionizing states for two schemes. By wide-band laser light the hyperfine structural splitting of {sup 237}Np for inner atomic transitions was examined and compared with reference values found in specialized literature. (BBR).

  9. Oak Ridge National Lab., Tennessee

    International Nuclear Information System (INIS)

    Crandall, D.H.

    The available literature on electron impact ionization of ions of charge + 3 or greater is reviewed. Several easily used formulas are presented - the classical result, the Lotz formula, and a scaled Coulomb-Born prescription. The available experimental cross sections, which now include a few good quality crossed-beams measurements, are compared with the cross sections obtained from the formulae and where available with true Coulomb-Born calculations. The Lotz formula is found to be closest to the various experimental results. However, this result may be fortuitous since much of the experimental data are found to contain measurable contribution from the excitation-autoionization process not included in any of the formulae. It appears to be more important to include estimates of the excitation-autoionization contribution to ionization cross sections than to improve the models of the direct ionization process

  10. Dielectronic recombination rate coefficients to the excited states of CII from CIII

    International Nuclear Information System (INIS)

    Kato, Takako; Safronova, U.; Ohira, Mituhiko.

    1996-02-01

    Energy levels, radiative transition probabilities and autoionization rates for CII including 1s 2 2l2l'nl'' (n=2-6, l'≤(n-1)) states were calculated by using multi-configurational Hartree-Fock (Cowan code) method. Autoionizing levels above three thresholds: 1s 2 2s 2 ( 1 S), 1s 2 2s2p( 3 P), 1s 2 2s2p( 1 P) were considered. Branching ratios related to the first threshold and the intensity factor were calculated for satellite lines of CII ion. The dielectronic recombination rate coefficients to the excited states for n=2-6 are calculated with these atomic data. The rate coefficients are fitted to an analytical formula and the fit parameters are given. The values for higher excited states than n=6 are extrapolated and the total dielectronic recombination rate coefficients are derived. The effective recombination rate coefficient for different electron densities are also derived. (author)

  11. Study on the AMO data production and evaluation techniques

    International Nuclear Information System (INIS)

    Rhee, Yong Joo; Yoo, B. D.; Choe, A. S.; Han, J. M.; Jung, E. C.; Rho, S. P.; Yi, J. H.; Jeong, D. Y.; Lee, K. S.; Park, H. M.; Kim, S. K.; Song, K. S.; Lee, J. M.

    1998-01-01

    AMODS (Atomic, Molecular, and Optical Database System) which can be accessed with the URL http://amods.kaeri.re.kr consists of a computer system which is an Alpha workstation 600 with UNIX O/S and the APACHE 1.2 WWW server installed on an independently mounted file system of 4.3 GB. Currently the data in AMODS is mostly atom-related and consists of atomic spectral lines, atomic transition probabilities, atomic energy levels, atomic transition lines, and CODATA 86 as well as several reference data. Meanwhile spectroscopic parameter of Sm which is one of the rare earth elements, has been measured, resulting in production of 36 isotope shift data of the high-lying even parity states, followed by the measurement of autoionization states. New 31 autoionization states are found and energy levels of them are measured. The Fano's q parameters are determined through the theoretical analysis of the experimental data. (author). 11 refs., 3 tabs., 15 figs

  12. Atomic excitation and recombination in external fields

    International Nuclear Information System (INIS)

    Nayfeh, M.H.; Clark, C.W.

    1985-01-01

    This volume offers a timely look at Rydberg states of atoms in external fields and dielectronic recombination. Each topic provides authoritative coverage, presents a fresh account of a flourishing field of current atomic physics and introduces new opportunities for discovery and development. Topics considered include electron-atom scattering in external fields; observations of regular and irregular motion as exemplified by the quadratic zeeman effect and other systems; Rydberg atoms in external fields and the Coulomb geometry; crossed-field effects in the absorption spectrum of lithium in a magnetic field; precise studies of static electric field ionization; widths and shapes of stark resonances in sodium above the saddle point; studies of electric field effects and barium autoionizing resonances; autoionization and dielectronic recombination in plasma electric microfields; dielectronic recombination measurements on multicharged ions; merged beam studies of dielectronic recombination; Rydberg atoms and dielectronic recombination in astrophysics; and observations on dielectronic recombination

  13. X-ray and VUV observations of Mo23+-Mo33+ brightness profiles from Alcator C-Mod plasmas

    International Nuclear Information System (INIS)

    Rice, J.E.; Terry, J.L.; Graf, M.A.; Marmar, E.S.; Hubbard, A.E.; Finkenthal, M.; May, M.J.

    1996-01-01

    Brightness profiles of x-ray and VUV lines from eight molybdenum charge states between Mo 23+ and Mo 33+ have been measured in Alcator C-Mod plasmas. These spatial profiles agree very well with those predicted by a model which includes ionization, recombination, excitation and transport. Comparison with the profiles of many different charge states provides severe constraints upon the rates used in the model. The charge state density profiles are calculated using measured impurity transport coefficients, measured electron density and temperature profiles and newly calculated ionization and recombination rate coefficients. These new rate coefficients include direct collisional ionization, excitation-autoionization, dielectronic and radiative recombination. Excitation-autoionization is shown to be an important process, since the excellent agreement between the measurements and predictions is obtained only with its inclusions. Fits to newly calculated excitation rate coefficients for the transitions are also presented. (author)

  14. A fully relativistic approach for calculating atomic data for highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hong Lin [Los Alamos National Laboratory; Fontes, Christopher J [Los Alamos National Laboratory; Sampson, Douglas H [PENNSYLVANIA STATE UNIV

    2009-01-01

    We present a review of our fully relativistic approach to calculating atomic data for highly charged ions, highlighting a research effort that spans twenty years. Detailed discussions of both theoretical and numerical techniques are provided. Our basic approach is expected to provide accurate results for ions that range from approximately half ionized to fully stripped. Options for improving the accuracy and range of validity of this approach are also discussed. In developing numerical methods for calculating data within this framework, considerable emphasis is placed on techniques that are robust and efficient. A variety of fundamental processes are considered including: photoexcitation, electron-impact excitation, electron-impact ionization, autoionization, electron capture, photoionization and photorecombination. Resonance contributions to a variety of these processes are also considered, including discussions of autoionization, electron capture and dielectronic recombination. Ample numerical examples are provided in order to illustrate the approach and to demonstrate its usefulness in providing data for large-scale plasma modeling.

  15. Optical studies of multiply excited states

    International Nuclear Information System (INIS)

    Mannervik, S.

    1989-01-01

    Optical studies of multiply-excited states are reviewed with emphasis on emission spectroscopy. From optical measurements, properties such as excitation energies, lifetimes and autoionization widths can be determined with high accuracy, which constitutes a challenge for modern computational methods. This article mainly covers work on two-, three- and four-electron systems, but also sodium-like quartet systems. Furthermore, some comments are given on bound multiply-excited states in negative ions. Fine structure effects on transition wavelengths and lifetimes (autoionization) are discussed. In particular, the most recent experimental and theoretical studies of multiply-excited states are covered. Some remaining problems, which require further attention, are discussed in more detail. (orig.) With 228 refs

  16. Molecular (Feshbach) treatment of charge exchange Li/sup 3 +/+He collisions. I. Energies and couplings

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F.; Riera, A.; Yanez, M.

    1986-05-15

    We point out a fundamental difference between the molecular treatment of charge exchange X/sup n/++H(1s) and X/sup n/++He(1s/sup 2/) collisions, which is that the latter process involves molecular states that are formally autoionizing. Then standard ab initio methods do not, in general, yield the relevant wave functions that are needed in the collision treatment, irrespective of whether quasimolecular autoionization be significant or not during the collision. We implement a particularly simple and useful form of the Feshbach formalism to calculate the energies of those two electron systems, and a method to evaluate the corresponding dynamical couplings is presented for the first time. Our implementation of this formalism together with the new computational techniques involved are presented in detail.

  17. Multiple capture investigated by coincident electron spectroscopy in X{sup 7+}+Ar, at 70 keV

    Energy Technology Data Exchange (ETDEWEB)

    Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Universite Paul Sabatier, Toulouse (France). Lab. Collisions-Agregats-Reactivite

    1999-11-01

    The multiple electron capture in N{sup 7+} + Ar and F{sup 7+}(1s{sup 2}) + Ar systems is investigated at 70 keV with a new electron-recoil ion charge coincidence experiment. The whole electron energy range has been studied. Up to six electrons are found to be captured into autoionizing states. The recoil ion charge distribution associated with the emission of electrons is similar for both systems and found to be in good agreement with the prediction of Niehaus`s model roughly adapted to take into account autoionizing cascades. New findings for the coincident double and triple captures are briefly discussed. A capture of an inner L-shell electron of Ar into the K-shell of the projectile is also observed in N{sup 7+} + Ar collisions. (orig.) 10 refs.

  18. Collisional ionization

    International Nuclear Information System (INIS)

    Arnaud, M.

    1985-07-01

    In low density, thin plasmas (such as stellar coronae, interstellar medium, intracluster medium) the ionization process is governed by collision between electrons and ions in their ground state. In view of the recent improvements we thought an updating of ionization rates was really needed. The work is based on both experimental data and theoretical works and give separate estimates for the direct and autoionization rates

  19. Resonance ionization scheme development for europium

    CERN Document Server

    Chrysalidis, K; Fedosseev, V N; Marsh, B A; Naubereit, P; Rothe, S; Seiffert, C; Kron, T; Wendt, K

    2017-01-01

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  20. Argon and krypton Auger spectra induced by ion bombardment of aluminium and silicon surfaces

    International Nuclear Information System (INIS)

    Nixon, A.P.; Gallon, T.E.; Yousif, F.; Matthew, J.A.D.

    1994-01-01

    Measurements are reported of Auger (autoionization) spectra of Ar and Kr produced by bombarding Al and Si substrates with Ar + and Kr + ions in the 110 eV-5 keV energy range. These are shown to be consistent with the simple Doppler model suggested, for Ne and Al and Si, in a previous paper. Once corrected using the model, the observed Auger energies are shown to correspond to theoretical predictions produced using Dirac-Fock calculations. (Author)

  1. Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975

    International Nuclear Information System (INIS)

    1975-01-01

    Abstracts of one hundred papers given at the conference are presented along with the conference program and an author index. Session topics include: highly ionized atoms; laser spectroscopy and hyperfine structure; complex spectra; laser spectroscopy, radiation theory; theory of highly ionized atoms and analysis of plasmas; plasma spectroscopy, line strengths; spectral analysis, instrumentation, reference wavelengths; beam foil spectroscopy, line strengths, energy levels; absorption spectroscopy, autoionization, and related theory; and spectral analysis, instrumentation, and VUV physics

  2. Aluminium Lyman ŕ group formation at high-intensity, high-energy laser-matter interaction

    Czech Academy of Sciences Publication Activity Database

    Renner, Oldřich; Rosmej, F. B.; Krouský, Eduard; Sondhauss, P.; Kalachnikov, M. P.; Nickels, P. V.; Uschmann, I.; Förster, E.

    2001-01-01

    Roč. 71, - (2001), s. 623-634 ISSN 0022-4073 R&D Projects: GA MŠk LA 055 Grant - others:CZ-DE Bilateral Cooperation in Science(XC) CZE-00-008 Institutional research plan: CEZ:AV0Z1010921 Keywords : laser-produced plasma * x-ray spectra * absolute and relative intensities * autoionization Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.493, year: 2001

  3. Spectra of resonance surface photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Antsiferov, V.V.; Smirnov, G.I.; Telegin, G.G. [Budker Nuclear Physics Institute, Novosibirsk (Russian Federation)

    1995-09-01

    The theory of nonactivated electron transfer between atoms interacting reasonantly with coherent radiation and a metal surface is developed. The spectral resonances in photoabsorption and surface photoionization are found to be related to nonlinear interference effects in the interaction between discrete atomic levels and the continuum formed by the quasi-continuous electron spectrum of a normal metal. The asymmetry in the resonance surface photoionization spectrum is shown to have a shape typical of the Fano autoionization resonances. 18 refs.

  4. Donor-acceptor reactions: Good bye to the laboratory jargon | Barke ...

    African Journals Online (AJOL)

    Thus, Broensted acids and bases are no more substances, but individual types of particles. Due to the autoprotolysis of H2O molecules (not "autoionization of water"), the following equilibrium exists: H2O + H2O H3O+(aq) + OH-(aq) Through this protolysis it is more advantageous to argue rather with H3O+(aq) ions than ...

  5. Resonance ionization scheme development for europium

    Energy Technology Data Exchange (ETDEWEB)

    Chrysalidis, K., E-mail: katerina.chrysalidis@cern.ch; Goodacre, T. Day; Fedosseev, V. N.; Marsh, B. A. [CERN (Switzerland); Naubereit, P. [Johannes Gutenberg-Universität, Institiut für Physik (Germany); Rothe, S.; Seiffert, C. [CERN (Switzerland); Kron, T.; Wendt, K. [Johannes Gutenberg-Universität, Institiut für Physik (Germany)

    2017-11-15

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  6. High-energy ion-atom collisions

    International Nuclear Information System (INIS)

    Berenyi, Denes.

    1987-01-01

    The progress in energetic ion-atom collision studies is shown briefly on the basis of the Workshop in the field above held in Debrecen. The 'hot topics', namely 'two-center' and electron correlation phenomena, collisions with antiprotons, recent results on alignment and orientation in energetic heavy-ion collisions, autoionization electron studies in the meV region and the utilization of heavy-ion storage rings in ion-atom collision experiments are treated. (author) 4 figs

  7. SCROLL, a superconfiguration collisional radiative model with external radiation

    International Nuclear Information System (INIS)

    Bar-Shalom, A.; Oreg, J.; Klapisch, M.

    2000-01-01

    A collisional radiative model for calculating non-local thermodynamical-equilibrium (non-LTE) spectra of heavy atoms in hot plasmas has been developed. It takes into account the numerous excited an autoionizing states by using superconfigurations. These are split systematically until the populations converge. The influence of an impinging radiation field has recently been added to the model. The effect can be very important. (author)

  8. R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

    Science.gov (United States)

    Luo, D.; Pradhan, A. K.

    1990-01-01

    The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

  9. Studies of photoionization processes from ground-state and excited-state atoms and molecules

    International Nuclear Information System (INIS)

    Ederer, D.L.; Parr, A.C.; West, J.B.

    1982-01-01

    Recent triply-differential photoelectron spectroscopy experiments designed for the study of correlation effects in atoms and molecules are described. Final-state symmetry of the n=2 state of helium has been determined. The non-Franck-Condon behavior of vibrational branching ratios and large variations of the angular asymmetry parameter has been observed for shape resonances and autoionizing resonances in CO and other molecules. Recent observations of the photoionization of excited sodium atoms are also described

  10. Strong forward-backward asymmetries in electron emission from overlapping resonance states in fast C3+ on He collisions

    International Nuclear Information System (INIS)

    Yamazaki, Y.; Miller, P.D.; Krause, H.F.; Pepmiller, P.L.; Datz, S.; Sellin, I.A.

    1986-01-01

    Autoionizing electrons from the configuration 1s 2 2pnl produced by transfer and excitation were measured for 2.5 to 5.0 MeV C 3+ + He-gas collision employing the method of zero-degree Auger spectroscopy. The elctron analyzer was operated with an energy resolution of 300 MeV (FWHM), which corresponds to the projectile rest frame energy resolution (approx.40 MeV)

  11. Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975. [Program, abstracts, and author index

    Energy Technology Data Exchange (ETDEWEB)

    1975-01-01

    Abstracts of one hundred papers given at the conference are presented along with the conference program and an author index. Session topics include: highly ionized atoms; laser spectroscopy and hyperfine structure; complex spectra; laser spectroscopy, radiation theory; theory of highly ionized atoms and analysis of plasmas; plasma spectroscopy, line strengths; spectral analysis, instrumentation, reference wavelengths; beam foil spectroscopy, line strengths, energy levels; absorption spectroscopy, autoionization, and related theory; and spectral analysis, instrumentation, and VUV physics. (GHT)

  12. Design and construction of a Fourier transform soft x-ray interferometer

    Energy Technology Data Exchange (ETDEWEB)

    Spring, John A. [San Francisco State Univ., CA (United States)

    2000-05-01

    Helium, with its two electrons and one nucleus, is a three-body system. One of the models for investigating correlated electron motion in this system is autoionization, produced via double excitation of the electrons. Predictions about the autoionization spectrum of helium have differed from each other and from preliminary experimental data. However, previous experiments have not been able to distinguish among the theoretical predictions because their energy resolution is not high enough to resolve the narrow linewidths of quasi-forbidden peaks and the resonances that appear in the highest excited states. Consequently, a team of researchers at Lawrence Berkeley National Laboratory have embarked on a project for building a high-resolution Fourier-Transform Soft X-ray (or VUV) interferometer (FTSX) to provide definitive data to answer remaining questions about the autoionization spectrum of helium. The design and construction of this interferometer is described in detail below, including the use of a flexure stage to provide the large path length difference necessary for high resolution measurements, the manufacture of x-ray beamsplitters, a description of the software, and the solution to the problems of stick-slip, vibration, and alignment. Current progress of its development is also described, as well as future goals.

  13. Toward the Use of Rydberg States for State-Selective Production of Molecular Ions

    Science.gov (United States)

    Grimes, David; Barnum, Timothy J.; Coy, Stephen; Field, Robert W.

    2014-06-01

    The usual simplified view of Rydberg states of molecules as consisting of a single Rydberg electron loosely bound to a molecular ion core in a well-defined rotation-vibration state suggests an attractive possibility for state-selective production of molecular ions. A Rydberg electron excited above the energy of the ground state of the ion core will spontaneously autoionize, leaving behind a molecular ion. The autoionizing states are of strongly mixed character due to the ubiquitous nonadiabatic interactions between Rydberg series associated with different states of the ion core. Using our complete Multichannel Quantum Defect Theory (MQDT) fit model for CaF, we have predicted the locations and strengths of special autoionizing resonances that decay into a single rotation-vibration state of a molecular ion. Few molecules are as well characterized as CaF, nor as elegantly simple. We additionally describe the use of core nonpenetrating states as a general method to produce an ensemble of molecular ions in a single, selectable quantum state.

  14. Ultrasensitive analysis of thorium by resonance ionization mass spectroscopy (RIMS)

    International Nuclear Information System (INIS)

    Johnson, S.G.; Nogar, N.S.; Miller, C.M.; Murrell, M.T.; Fearey, B.L.

    1991-01-01

    This communication presents results on a RIMS analysis of thorium. Thorium is of interest for geochronological and geochemical purposes. The measurement of uranium series disequilibrium is a well established and valuable approach for geochronological studies: disequilibrium between 234/238 U and 230 Th can be used to date samples younger than 350,000 years. Both continuous wave (cw) and pulsed lasers were utilized in this study for resonantly exciting and subsequently ionizing thorium. In the case of the pulsed laser RIMS experiments, two excimer laser-pumped dye lasers were used in conjunction with a 0.4 m time-of-flight mass spectrometer. The cw RIMS experiments used an Ar + laser-pumped dye laser and a second Ar + in combination with a single magnetic sector mass spectrometer (NBS 12-90 design). Experiments performed with the pulsed RIMS apparatus were aimed at determining the autoionization state structure and re-determining the ionization potential (IP). By tuning one dye laser to a resonance and scanning the second laser such that the total energy was equal to or above the IP, over 150 autoionization states were determined. The IP was re-determined to be 6.211±.002 eV (50900 ± 20 cm -1 ). In addition, the typical cross section for ionization of an autoionizing state was determined to be 1 x 10 -15 cm 2

  15. Electron and ion angular distributions in resonant dissociative photoionization of H{sub 2} and D{sub 2} using linearly polarized light

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, Jorge; MartIn, Fernando [Departamento de Quimica C-9, Universidad Autonoma de Madrid, 28049 Madrid (Spain)], E-mail: fernando.martin@uam.es

    2009-04-15

    We have evaluated fully differential electron angular distributions in H{sub 2} and D{sub 2} dissociative photoionization by using linearly polarized light of 20, 27 and 33 eV. At 20 eV, the distributions exhibit simple p-wave patterns, which is the signature of direct ionization through the X{sup 2}{sigma}{sub g}{sup +}(1s{sigma}{sub g}) channel. At 27 eV, where the Q{sub 1} autoionizing states are populated, we observe a similar pattern, except when the molecule is oriented perpendicularly to the polarization direction and the energy of the ejected electron is small. In contrast, at 33 eV, autoionization from the Q{sub 1} and Q{sub 2} states leads to interferences between the X{sup 2}{sigma}{sub g}{sup +}(1s{sigma}{sub g}) and {sup 2}{sigma}{sub u}{sup +}(2p{sigma}{sub u}) ionization channels that result in a strong asymmetry of the electron angular distributions along the molecular axis. This asymmetry changes rapidly with the energy of the ejected electron. Electron angular distributions integrated over all possible molecular orientations or ion angular distributions integrated over electron emission angle show no reminiscence of the above phenomena, but the corresponding asymmetry parameters dramatically change with electron and ion energies in the region of autoionizing states.

  16. Design and construction of a Fourier transform soft x-ray interferometer

    International Nuclear Information System (INIS)

    Spring, John A.

    2000-01-01

    Helium, with its two electrons and one nucleus, is a three-body system. One of the models for investigating correlated electron motion in this system is autoionization, produced via double excitation of the electrons. Predictions about the autoionization spectrum of helium have differed from each other and from preliminary experimental data. However, previous experiments have not been able to distinguish among the theoretical predictions because their energy resolution is not high enough to resolve the narrow linewidths of quasi-forbidden peaks and the resonances that appear in the highest excited states. Consequently, a team of researchers at Lawrence Berkeley National Laboratory have embarked on a project for building a high-resolution Fourier-Transform Soft X-ray (or VUV) interferometer (FTSX) to provide definitive data to answer remaining questions about the autoionization spectrum of helium. The design and construction of this interferometer is described in detail below, including the use of a flexure stage to provide the large path length difference necessary for high resolution measurements, the manufacture of x-ray beamsplitters, a description of the software, and the solution to the problems of stick-slip, vibration, and alignment. Current progress of its development is also described, as well as future goals

  17. Dissociative recombination of molecular ions H2+

    International Nuclear Information System (INIS)

    Abarenov, A.V.; Marchenko, V.S.

    1989-01-01

    The total cross sections of dissociation and dissociative recombination of slow electrons and molecular ions H 2 + have been calculated in terms of the quasiclassical and dipole approximations. In the calculations allowance was made for the quantum nature of vibrational motion of heavy particles and presence of autoionization of divergence states of the H 2 (Σ u , nl) molecules. It is shown that the H 2 + ion dissociation cross sections are dominant in increase of the electron energy in the ε >or approx. 2-3 eV region for H 2 + (v) ion distribution over the vibrational levels characteristic for the beam experiments. 15 refs.; 5 figs

  18. Search for interference effects in electron impact ionization of aligned hydrogen molecules

    International Nuclear Information System (INIS)

    Senftleben, A; Pflueger, T; Ren, X; Najjari, B; Dorn, A; Ullrich, J; Al-Hagan, O; Madison, D

    2010-01-01

    Five-fold differential cross sections (5DCS) for electron impact ionization of a diatomic molecule have been explored experimentally as a function of molecular alignment. Using H 2 as a test system, we exploited dissociative ionization by 200eV electrons to obtain the alignment of the internuclear axis. Separation of ground-state ionization from autoionization is discussed. 5DCS are investigated for the direct channel and found to be in good agreement with M3DW calculations discarding at the same time a simple two-centre interference model discussed recently in the literature. (fast track communication)

  19. The energy structure and decay channels of the 4p6-shell excited states in Sr

    Science.gov (United States)

    Kupliauskienė, A.; Kerevičius, G.; Borovik, V.; Shafranyosh, I.; Borovik, A.

    2017-11-01

    The ejected-electron spectra arising from the decay of the 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } autoionizing states in Sr atoms have been studied precisely at the incident-electron energies close to excitation and ionization thresholds of the 4{{{p}}}6 subshell. The excitation behaviors for 58 lines observed between 12 and 21 eV ejected-electron kinetic energy have been investigated. Also, the ab initio calculations of excitation energies, autoionization probabilities and electron-impact excitation cross sections of the states 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } (nl = 4d, 5s, 5p; {n}{\\prime }{l}{\\prime } = 4d, 5s, 5p; {n}{\\prime\\prime }{l}{\\prime\\prime } = 5s, 6s, 7s, 8s, 9s, 5p, 6p, 5d, 6d, 7d, 8d, 4f, 5g) have been performed by employing the large-scale configuration-interaction method in the basis of the solutions of Dirac-Fock-Slater equations. The obtained experimental and theoretical data have been used for the accurate identification of the 60 lines in ejected-electron spectra and the 68 lines observed earlier in photoabsorption spectra. The excitation and decay processes for 105 classified states in the 4p55s{}2{nl}, 4p54d{}2{nl} and 4p55s{{nln}}{\\prime }{l}{\\prime } configurations have been considered in detail. In particular, most of the states lying below the ionization threshold of the 4p6 subshell at 26.92 eV possess up to four decay channels with formation of Sr+ in 5s{}1/2, 4d{}3/{2,5/2} and 5p{}1/{2,3/2} states. Two-step autoionization and two-electron Auger transitions with formation of Sr2+ in the 4p6 {}1{{{S}}}0 ground state are the main decay paths for high-lying autoionizing states. The excitation threshold of the 4{{{p}}}6 subshell in Sr has been established at 20.98 ± 0.05 eV.

  20. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa–Dye ISOLDE RILIS

    CERN Document Server

    Day Goodacre, T.; Fedosseev, V.N.; Forster, L.; Marsh, B.A.; Rossel, R.E.; Rothe, S.; Veinhard, M.

    2016-01-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  1. Atomic data base and the U.K.-U.S. opacity project

    Science.gov (United States)

    Pradhan, A. K.

    1988-08-01

    With the primary aim of calculating stellar envelope opacities, a joint international collaboration is under way for the calculation of basic atomic data for radiative processes: oscillator strengths, photoionization cross sections, energy levels, radiative damping constants (including line broadening). Atomic calculations have been completed for the first ten isoelectronic sequences, H-like to Ne-like, going up to iron, and work is in progress on the third and fourth row atoms and isosequences. The close-coupling approximation is employed throughout using a new version of the R-matrix method. Particular emphasis is placed on the detailed resolution of the autoionization structures in the bound-free continuum.

  2. AM data activities (1999-2001) at Data and Planning Center, National Institute for Fusion Science, Japan

    International Nuclear Information System (INIS)

    Murakami, I.

    2001-01-01

    In this report recent work at the Data and Planning Center, NIFS, consisting of compilation activities, research and collaboration programmes, data publications, and future plans, is presented. The NIFS website and services, the status of data records in the numerical databases (AMDIS, CHART, SPUTY and BACKS) and bibliographic databases are reviewed. These databases are accessed through the www and require a simple user registration process. The new database on recombination processes has been constructed and contains 26000 records for cross sections and rate coefficients for radiative, dielectronic or three-body recombination. New numerical databases in progress in 2001 include impact and ion/atom/molecule impact for molecular processes and autoionization

  3. Recent progress in the studies of atomic spectra and transition probabilities by beam-foil spectroscopy

    International Nuclear Information System (INIS)

    Martinson, I.

    1982-01-01

    A review is given of recent studies of atomic structure (in particular atomic spectra, energy levels and transition probabilities) using fast beams from ion accelerators. Thanks to improved spectral resolution detailed and quite accurate studies of energy levels are now possible, a number of such results will be discussed. The non-autoionizing, multiply excited levels in atoms and ions (including negative ions) are being vigorously investigated at present, some new results will be reported. The accuracy in lifetime determinations continues to improve, and several new ways for reduction of cascading effects have been developed. Some selected examples of recent progress in lifetime measurements are also included. (orig.)

  4. Intense Interactions of Molecules with a Short-Wavelength Electromagnetic Radiation Field: II. Resonance Scattering of Radiation and Fluorescence

    Science.gov (United States)

    Pegarkov, A. I.

    2001-07-01

    Within the framework of the nonadiabatic approach developed in the preceding paper, the resonance scattering, resonance Raman scattering, and resonance fluorescence are studied in detail for diatomic and triatomic molecules, and polyatomic symmetric and antisymmetric top molecules, which interact with the field of short-wavelength radiation with a wavelength λ ≥ Å and an intensity up to 1014 W/cm2. The coherent excitations of high-lying Rydberg and autoionizing states are taken into account. Analytical expressions for calculating the tensors and cross sections of the above processes are derived.

  5. Photoionization using the xchem approach: Total and partial cross sections of Ne and resonance parameters above the 2 s22 p5 threshold

    Science.gov (United States)

    Marante, Carlos; Klinker, Markus; Kjellsson, Tor; Lindroth, Eva; González-Vázquez, Jesús; Argenti, Luca; Martín, Fernando

    2017-08-01

    The XCHEM approach interfaces well established quantum chemistry packages with scattering numerical methods in order to describe single-ionization processes in atoms and molecules. This should allow one to describe electron correlation in the continuum at the same level of accuracy as quantum chemistry methods do for bound states. Here we have applied this method to study multichannel photoionization of Ne in the vicinity of the autoionizing states lying between the 2 s22 p5 and 2 s 2 p6 ionization thresholds. The calculated total photoionization cross sections are in very good agreement with the absolute measurement of Samson et al. [J. Electron Spectrosc. Relat. Phenom. 123, 265 (2002), 10.1016/S0368-2048(02)00026-9], and with independent benchmark calculations performed at the same level of theory. From these cross sections, we have extracted resonance positions, total autoionization widths, Fano profile parameters, and correlation parameters for the lowest three autoionizing states. The values of these parameters are in good agreement with those reported in earlier theoretical and experimental work. We have also evaluated β asymmetry parameter and partial photoionization cross sections and, from the latter, partial autoionization widths and Starace parameters for the same resonances, not yet available in the literature. Resonant features in the calculated β parameter are in good agreement with the experimental observations. We have found that the three lowest resonances preferentially decay into the 2 p-1ɛ d continuum rather than into the 2 p-1ɛ s one [Phys. Rev. A 89, 043415 (2014), 10.1103/PhysRevA.89.043415], in agreement with previous expectations, and that in the vicinity of the resonances the partial 2 p-1ɛ s cross section can be larger than the 2 p-1ɛ d one, in contrast with the accepted idea that the latter should amply dominate in the whole energy range. These results show the potential of the XCHEM approach to describe highly correlated process

  6. Polarization-dependent spectra in the photoassociative ionization of cold atoms in a bright sodium beam

    International Nuclear Information System (INIS)

    Ramirez-Serrano, Jaime; DeGraffenreid, William; Weiner, John

    2002-01-01

    We report measurements of cold photoassociative ionization (PAI) spectra obtained from collisions within a slow, bright Na atomic beam. A high-brightness atom flux, obtained by optical cooling and focusing of the atom beam, permits a high degree of alignment and orientation of binary collisions with respect to the laboratory atom-beam axis. The results reveal features of PAI spectra not accessible in conventional magneto-optical trap studies. We take advantage of this high degree of alignment to selectively excite autoionizing doubly excited states of specific symmetry

  7. Non-perturbative methods applied to multiphoton ionization

    International Nuclear Information System (INIS)

    Brandi, H.S.; Davidovich, L.; Zagury, N.

    1982-09-01

    The use of non-perturbative methods in the treatment of atomic ionization is discussed. Particular attention is given to schemes of the type proposed by Keldysh where multiphoton ionization and tunnel auto-ionization occur for high intensity fields. These methods are shown to correspond to a certain type of expansion of the T-matrix in the intra-atomic potential; in this manner a criterium concerning the range of application of these non-perturbative schemes is suggested. A brief comparison between the ionization rate of atoms in the presence of linearly and circularly polarized light is presented. (Author) [pt

  8. Nonequilibrium effects and structure of X-ray lines in tokamak plasma

    Science.gov (United States)

    Gontis, V. G.; Lisitsa, V. S.

    1986-02-01

    The sensitivity of X-ray spectra to a number of typical non-equilibrium effects occurring in modern tokamaks is examined. Experimental data from the T-10 and ST Tokamaks are cited to illustrate the degree of deviation from coronal equilibrium. The analysis exploits recent atomic data for radiation and autoionization line widths; standard semiempirical formulas are used to calculate the rates of collision processes. Ion diffusion and impurity distribution by degrees of ionization are investigated. The sensitivity of K radiation to electron nonequilibrium and ion charge exchange is examined.

  9. Spectroscopy of uranium within the SILVA program

    Science.gov (United States)

    Avril, R.; Petit, Alain D.; Radwan, J.; Vors, E.

    1993-05-01

    The multistep photoionization of uranium atoms implies choosing an irradiation scheme and this choice is only possible if the following spectroscopic parameters are known: oscillator strength, isotopic shift, hyperfine structure, lifetime, autoionization spectrum. In order to measure these parameters two kinds of experimental set-up are used: laser induced fluorescence and laser induced photoionization techniques. Since the oscillator strengths determine the laser fluences needed for an effective atomic photoionization, this parameter must be accurately measured and two different methods are used: the saturation method, and branching ratio plus lifetime.

  10. Electron correlation explored through electron spectrometry using synchrotron radiation

    International Nuclear Information System (INIS)

    Caldwell, C.D.; Whitfield, S.B.; Flemming, M.G.

    1991-01-01

    The development of synchrotron radiation facilities as a research tool has made possible experiments which provide new insights into the role which correlation plays in electron dynamics and atomic and molecular structure. Features such as autoionizing resonances, normal and resonant Auger decay modes, and ionization threshold structure have become visible in a wealth of new detail. Some aspects of this information drawn from recent experiments on the alkaline earth metals and the rare gases are presented. The potential for increased flux and resolution inherent in insertion device-based facilities like the Advanced Light Source should advance this understanding even further, and some future directions are suggested. 8 refs., 8 figs

  11. Application of the stabilization method to the molecular states of LiHeT : Energies and radial couplings

    Energy Technology Data Exchange (ETDEWEB)

    Macias, A.; Mendizabal, R.; Pelayo, F.; Riera, A.; Yaez, M.

    1986-01-01

    We have used the stabilization method to perform calculations on autoionizing states of the LiHeT system which are involved in LiT +He collisions. The molecular energies and radial couplings are calculated with use of programs developed at our laboratory. For both short and large internuclear distances, the stabilization treatment is complemented by block-diagonalization techniques. Our calculations allow us to draw conclusions on the conditions under which these methods can be used to calculate energy positions and radial couplings for states that lie in an ionization continuum.

  12. The photoabsorption of Eu, Eu{sup +} and Eu{sup 2+} in the vicinity of 4 Th thresholds

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, M.Ya.; Chernysheva, L.V. E-mail: larissa.chernysheva@pop.ioffe.rssi.ru; Ivanov, V.K

    2000-08-01

    The results of calculations of the total and partial photoionisation cross-sections of neutral Europium and its ions in the photon energy range from the threshold up to 270 eV are presented. The calculations were performed within the multi-channel Spin-Polarized Random Phase Approximation with Exchange. The main attention is given to the giant autoionizing resonance associated with the 4 Th {yields} 4 f discrete transition to vacant states in the 4f{sup 7} subshell. The comparisons with experimental data obtained recently and the results of previous calculations are made.

  13. The photoabsorption of Eu, Eu+ and Eu2+ in the vicinity of 4 Th thresholds

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Chernysheva, L.V.; Ivanov, V.K.

    2000-01-01

    The results of calculations of the total and partial photoionisation cross-sections of neutral Europium and its ions in the photon energy range from the threshold up to 270 eV are presented. The calculations were performed within the multi-channel Spin-Polarized Random Phase Approximation with Exchange. The main attention is given to the giant autoionizing resonance associated with the 4 Th → 4 f discrete transition to vacant states in the 4f 7 subshell. The comparisons with experimental data obtained recently and the results of previous calculations are made.

  14. Correlated double electron capture in slow, highly charged ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Havener, C.C.; Phaneuf, R.A.; Swenson, J.K.; Shafroth, S.M.; Meyer, F.W.

    1986-01-01

    Recent measurements of autoionization electrons produced in slow, highly charged ion-atom collisions are reviewed. Mechanisms for double electron capture into equivalent and nonequivalent configurations are analyzed by comparing the probabilities for the creation of L/sub 1/L/sub 23/X Coster Kronig electrons and L-Auger electrons. It is shown that the production of the Coster-Kronig electrons is due to electron correlation effects whose analysis leads beyond the independent-particle model. The importance of correlation effects on different capture mechanisms is discussed. 28 refs., 6 figs.

  15. The photoionization spectrum of neutral aluminium, Al I

    Science.gov (United States)

    Roig, R. A.

    1975-01-01

    The absorption spectrum of Al I has been studied for the wavelength range 1160 to 2000 A by the flash pyrolysis technique. Wavelengths and derived energy levels are reported for 70 new lines converging on the 3s3p(3)P(0) limits of Al II. The autoionization parameters of the 3p(2)P(0)-3p(2)(2)S doublet have been measured. Good agreement is obtained with the experiment of Kohl and Parkinson and the recent calculation of Le Dourneuf et al. The relative photoionization cross section has been measured in the wavelength region 1200 A to 2000 A.

  16. Ionization photophysics and Rydberg spectroscopy of diacetylene

    KAUST Repository

    Schwell, Martin

    2012-11-01

    Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B\\' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

  17. Gamma radiation and temperature influence on the chemical effect produced by isomeric transition in the telluric acid

    International Nuclear Information System (INIS)

    Muriel G, M.

    1976-01-01

    When the gamma radiation due to the isomeric transition is internally converted an autoionization is produced. For atoms with a high atomic number this autoionization can be a large one and produce a fragmentation in a molecule. In the specific case of the solid state these fragments remain trapped in different places of the crystalline system. This can be considered as chemical change in the original molecule. These damages produced by the nuclear transformation can be measured by different methods: heating, gamma rays, pressure, etc. In this work the results of an experimental measurement of the behavior of the crystalline telluric acid molecule fragments under gamma radiation (0 to 20 Mrads) with controlled temperature of 2 0 C (-196 0 C to 50 0 C) it is presented. It was observed that the values of the mentioned behavior vary rapidly at first for relatively low doses and that for larger doses these values remained constant. Besides with a lower temperature these variation are progressively lower. (author)

  18. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Shelton, William A. [Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Valiev, Marat; Kowalski, Karol, E-mail: karol.kowalski@pnnl.gov [William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352 (United States); Deng, S. H. M.; Wang, Xue-Bin, E-mail: xuebin.wang@pnnl.gov [Physical Sciences Division, Pacific Northwest National Laboratory, K8-88, P.O. Box 999, Richland, Washington 99352 (United States)

    2015-12-14

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI{sup −}), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  19. Probing microhydration effect on the electronic structure of the GFP chromophore anion. Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Valiev, Marat; Deng, Shihu; Shelton, William A.; Kowalski, Karol; Wang, Xue B.

    2015-12-14

    The photophysics of Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI⁻), an analog of GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab-initio methods we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  20. Synchrotron-based valence shell photoionization of CH radical

    Energy Technology Data Exchange (ETDEWEB)

    Gans, B., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr; Falvo, C. [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay (France); Holzmeier, F.; Röder, A. [Institut of Physical and Theoretical Chemistry, University of Würzburg, Am Hubland, D-97074 Würzburg (Germany); Krüger, J.; Garcia, G. A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint Aubin BP 48, F-91192 Gif sur Yvette Cedex (France); Lopes, A.; Alcaraz, C., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr [Laboratoire de Chimie Physique, UMR 8000 CNRS—Univ. Paris-Sud, Univ. Paris-Saclay, Bât. 350, Centre Universitaire Paris-Sud, F-91405 Orsay Cedex (France); Fittschen, C. [Université Lille, CNRS, UMR 8522–PC2A–Physicochimie des Processus de Combustion et de l’Atmosphère, F-59000 Lille (France); Loison, J.-C. [Institut des Sciences Moléculaires, UMR 5255 CNRS—Université de Bordeaux, Bât. A12, 351 cours de la Libération, F-33405 Talence Cedex (France)

    2016-05-28

    We report the first experimental observations of X{sup +} {sup 1}Σ{sup +}←X {sup 2}Π and a{sup +} {sup 3}Π←X {sup 2}Π single-photon ionization transitions of the CH radical performed on the DESIRS beamline at the SOLEIL synchrotron facility. The radical was produced by successive hydrogen-atom abstractions on methane by fluorine atoms in a continuous microwave discharge flow tube. Mass-selected ion yields and photoelectron spectra were recorded as a function of photon energy using a double imaging photoelectron/photoion coincidence spectrometer. The ion yield appears to be strongly affected by vibrational and electronic autoionizations, which allow the observation of high Rydberg states of the neutral species. The photoelectron spectra enable the first direct determinations of the adiabatic ionization potential and the energy of the first triplet state of the cation with respect to its singlet ground state. This work also brings valuable information on the complex electronic structure of the CH radical and its cation and adds new observations to complement our understanding of Rydberg states and autoionization processes.

  1. Two-photon finite-pulse model for resonant transitions in attosecond experiments

    Science.gov (United States)

    Jiménez-Galán, Álvaro; Martín, Fernando; Argenti, Luca

    2016-02-01

    We present an analytical model capable of describing two-photon ionization of atoms with attosecond pulses in the presence of intermediate and final isolated autoionizing states. The model is based on the finite-pulse formulation of second-order time-dependent perturbation theory. It approximates the intermediate and final states with Fano's theory for resonant continua, and it depends on a small set of atomic parameters that can either be obtained from separate ab initio calculations or be extracted from a few selected experiments. We use the model to compute the two-photon resonant photoelectron spectrum of helium below the N =2 threshold for the RABITT (reconstruction of attosecond beating by interference of two-photon transitions) pump-probe scheme, in which an XUV attosecond pulse train is used in association with a weak IR probe, obtaining results in quantitative agreement with those from accurate ab initio simulations. In particular, we show that (i) the use of finite pulses results in a homogeneous redshift of the RABITT beating frequency, as well as a resonant modulation of the beating frequency in proximity to intermediate autoionizing states; (ii) the phase of resonant two-photon amplitudes generally experiences a continuous excursion as a function of the intermediate detuning, with either zero or 2 π overall variation.

  2. Time-dependent reduced density matrix functional theory applied to laser-driven, correlated two-electron dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.

  3. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Science.gov (United States)

    Bhaskaran-Nair, Kiran; Valiev, Marat; Deng, S. H. M.; Shelton, William A.; Kowalski, Karol; Wang, Xue-Bin

    2015-12-01

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI-), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  4. Kinematics of 3-body in Ionization Collision

    International Nuclear Information System (INIS)

    Della Picca, Renata

    2003-01-01

    In this thesis we study three body problems in the frame of the collision theory. First, we deal with the process of autoionization by ion impact where the line profile of the electron emitted is strongly affected by the post-collision interaction with the Coulomb field of the outgoing projectile.Here we analyze how these effects are modified when the projectile velocity is in the close vicinity of the resonant electron velocity.In this energy range, the analysis of the resonance contribution is hindered by the characteristic 'electron capture to the continuum' divergence in the direct term.Here we present a detailed theoretical study of the interplay between both contributions, based on a generalization of the Final-State Interaction model.Finally we propose a modified parameterization of the autoionization line shape in the vicinity of the ECC cusp.Secondly, we study the direct ionization of an atomic target by the impact of a charge projectile, through analysis of the quintuple differential cross section (QDCS) which gives the most complete information about a ionization collision.Its study, without any approximation on the mass ratios can unveil new, not previously observed, structures.In particular, in this work the ionization of Hydrogen molecules by the impact of positrons and muons was studied and a new structure that has not been identified until now was found. Its main characteristics and a possible explanation are presented

  5. Photoionization studies with molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Ng, C.Y.

    1976-09-01

    A molecular beam photoionization apparatus which combines the advantages of both the molecular beam method with photoionization mass spectrometry has been designed and constructed for carrying out some unique photoionization experiments. Rotational cooling during the supersonic expansion has resulted in high resolution photoionization efficiency curves for NO, ICl, C/sub 2/H/sub 2/ and CH/sub 3/I. The analysis of these spectra has yielded ionization potentials for these molecules to an accuracy of +- 3 MeV. Detailed autoionization structures were also resolved. This allows the investigation of the selection rules for autoionization, and the identification of the Rydberg series which converge to the excited states of the molecular ions. The degree of relaxation for thermally populated excited states has been examined using NO and ICl as examples. As a result of adiabatic cooling, a small percentage of dimers is also formed during the expansion. The photoionization efficiency curves for (NO)/sub 2/, ArICl, Ar/sub 2/, Kr/sub 2/ and Xe/sub 2/ have been obtained near the thresholds. Using the known dissociation energies of the (NO)/sub 2/, Ar/sub 2/, Kr/sub 2/ and Xe/sub 2/ van der Waals molecules, the corresponding dissociation energies for NO-NO/sup +/, Ar/sub 2//sup +/, Kr/sub 2//sup +/, and Xe/sub 2//sup +/ have been determined. The ionization mechanisms for this class of molecules are examined and discussed.

  6. Auger transitions in singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Mehlhorn, W.

    1978-01-01

    Some recent progress in Auger and autoionizing electron spectrometry of free metal atoms and of multiply ionized atoms is reviewed. The differences which arise between the spectra of atoms in the gaseous and the solid state are due to solid state effects. This will be shown for Cd as an example. The super Coster-Kronig transitions 3p-3d 2 (hole notation) and Coster-Kronig transitions 3p-3d 4s have been measured and compared with free-atom calculations for free Zn atoms. The experimental width GAMMA(3p)=(2.1+-0.2)eV found for the free atom agrees with the value obtained for solid Zn but is considerably smaller than the theoretical value for the free atom. Autoionizing spectra of Na following an L-shell excitation or ionization by different particles are compared and discussed. The nonisotropic angular distribution of electrons from the transition 2p 5 3s 2 2 Psub(3/2)→2p 6 +e - is compared with theoretical calculations. Two examples for Auger spectrometry of multiply ionized atoms are given: (1) excitation of neon target atoms by light and heavy ions, and (2) excitation of projectile ions Be + and B + in single gas collisions with CH 4 . A strong alignment of the excited atoms has also been found here

  7. Auto transfer to Rydberg states during ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Bachau, H.; Harel, C. (Laboratoire des Collisions Atomiques, Unite Propre de Recherche 260 du CNRS, Universite Bordeaux I, 351 Cours de la Liberation, 33405 Talence (France)); Barat, M.; Roncin, P. (Laboratoire des Collisions Atomiques et Moleculaires, Unite associee 281 du CNRS, Universite de Paris Sud, Batiment 351, 91405 Orsay (France)); Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Benoit-Cattin, P.; Gleizes, A.; Benhenni, M. (IRSAMC, Unite associee 770 du CNRS, Universite Paul Sabatier, 118 route de Narbonne, 31062 Toulouse (France))

    1993-06-05

    Electron capture by slow multiply charged ions colliding on rare-gas targets is known to populate highly excited states of the projectile. On the basis of experimental measurement of energy and angle differential cross-sections we have shown that capture to a resonant doubly excited state may lead to Autoionizing Double Capture (ADC) as well as to True Double Capture (TDC). In this model TDC appears as a two step post-collisional process, the state populated by the collision decays to (or delutes into) a dense adjacent Rydberg series, followed by radiative deexcitation of the inner electron of the (3,n) Rydberg states. We report here new experimental observations in electron spectra measured in [ital N][sup 7+]+[ital He]. Auto transfer to Rydber states has also important consequences on the determination of the lifetime of the autoionizing states, some discrepancies between theoretical width values for low [ital N][sup 5+](4,4) resonant states will be discussed and partially resolved.

  8. Electron capture and transfer-ionization processes in {sup 4}He{sup 2+}+Ar collision at 12.5 keV amu{sup -1}

    Energy Technology Data Exchange (ETDEWEB)

    Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A.; Benhenni, M. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589 CNRS and Universite Paul Sabatier, 31062 Toulouse Cedex (France)

    1998-05-14

    Electron emission in the {sup 4}He{sup 2+}+Ar collisional system has been investigated at 35 deg. and 12.5 keV amu{sup -1} collision velocity, in coincidence with the recoil target ion charges. Direct single ionization is found to be negligible with respect to single-electron capture. Contributions of transfer-ionization processes are stressed in the production of Ar{sup 2+} to Ar{sup 4+} ions; those of direct ionization, double excitation of the target and double capture into autoionization states of helium are instead found to be much less probable. Among the two-electron processes which explain the formation of Ar{sup 2+} ions, the double capture into autoionizing states of helium remains unimportant with respect to a pure transfer ionization process (one captured electron plus one ionized electron). The measured predominant production of Ar{sup 3+} ions illustrates the role played by three-electron processes, mainly a two-electron transfer accompanied by a single-target ionization. Finally, the formation of Ar{sup 4+} ions is connected with more complex transfer ionization processes. A qualitative analysis of these results is made within the quasimolecular approach. (author). Letter-to-the-editor.

  9. Studies of electron correlation in the photoionization process

    Energy Technology Data Exchange (ETDEWEB)

    Rosenberg, Richard Allen [Univ. of California, Berkeley, CA (United States)

    1979-03-01

    Electron correlation is a result of the interaction of two or more electrons confined in a region of space, and may conveniently be treated under the formalism of configuration interaction (CI). Photoionization provides a rather direct experimental method for studying configuration interaction. The types of CI involved in the photoionization process can be divided into three categories: initial state configuration interaction (ISCI), final ionic state configuration interaction (FISCI), and continuum state configuration interaction (CSCI). This thesis deals with experimental studies which reveal how the various types of CI may become manifested in photoionization. The experimental methods utilized in this work are photoelectron spectroscopy (PES), electron impact spectroscopy (EIS), and time-resolved fluorescence spectroscopy. The EIS was carried out following the discovery that the UV lamp on a Perkin-Elmer photoelectron spectrometer could be utilized as a source of low energy electrons. The time-resolved fluorescence work utilized both the tunability and the time structure of the radiation available at the Stanford Synchrotron Radiation Laboratory (SSRL). A commercial photoelectron spectrometer equipped with a conventional UV lamp (Hei, Nei) was employed for some of the PES studies, and a novel time-of-flight photoelectron spectrometer was developed for the PES work performed using synchrotron radiation. The PES of Ba, Sm, Eu, and Yb was studied using both Hei (22.22 eV) and Nei (16.85 eV) radiation. Satellite structure observed in these spectra using Nei (and for Yb, Hei also) radiation could be satisfactorily explained by ISCI alone. The Hei spectra of Sm, Eu, and, in particular, Ba showed dramatic changes in the satellite population which could only be explained by a new mechanism, autoionization, which is a special form of CSCI. The detailed nature of this mechanism was explored in Ba using synchrotron radiation. It was found that the autoionizing level decays

  10. Effects of radiation damping on photorecombination of C4 + ions for the KLL resonance

    Science.gov (United States)

    Li, Chuan-Ying; Wu, Yong; Qu, Yi-Zhi; Wang, Jian-Guo

    2016-10-01

    A numerical method based on Zabaydullin and Dubau's work [O. Zabaydullin and J. Dubau, J. Phys. B: At. Mol. Opt. Phys. 45, 115002 (2012), 10.1088/0953-4075/45/11/115002] has been developed to calculate the Cauchy principal value integral in scattering matrices and obtain photorecombination (PR) cross sections of low-lying resonances according to Davies and Seaton's theory [J. Phys. B 2, 757 (1969), 10.1088/0022-3700/2/7/304], in which radiation damping is included. The Dirac R -matrix method is employed to secure the dipole matrix. Using this method, PR cross sections of C4 + for the KLL resonance are acquired, and compared with available experimental measurements and other close-coupling theoretical results. It is shown that our damped cross sections reproduce the experimental data and are in agreement with other theoretical results. Meanwhile, radiation damping can reduce the PR cross section for the 1 s 2 p22P resonance (corresponding to two levels [(1s2p1 /2) 12 p3 /2] 1 /2 and [1s (2p3/22)2] 3 /2 by three orders of magnitude. The unresolved and underestimated resonances 1 s 2 p24P , 1 s 2 s 2 p 4P , and 1 s 2 p22P in the undamped Breit-Pauli R -matrix calculations [H. L. Zhang et al., J. Phys. B: At. Mol. Opt. Phys. 32, 1459 (1999), 10.1088/0953-4075/32/6/010] are corrected. Besides, dielectronic recombination cross sections of C4 + for the KLL resonance are also presented for comparison using the relativistic configuration-interaction (RCI) method implemented in flexible atomic code (fac), which show radiation damping has pronounced influences on 1 s 2 p22P due to much larger radiative rates compared with autoionization rates. Furthermore, radiative and autoionization rates for the intermediate states [(1s2p1 /2) 12 p3 /2] 1 /2 and [1s (2p3/22)2] 3 /2 of the He-like ions with 6 ≤Z ≤83 are calculated using fac, scaling laws of which are checked. Autoionization rates comply with the Zeff0 scaling law for Z ≥32 , which is caused by relativistic effects.

  11. Valence-shell photoionization of chlorinelike Ar{sup +} ions

    Energy Technology Data Exchange (ETDEWEB)

    Covington, A. M.; Aguilar, A.; Covington, I. R.; Hinojosa, G.; Shirley, C. A.; Phaneuf, R. A.; Alvarez, I.; Cisneros, C.; Dominguez-Lopez, I.; Sant' Anna, M. M.; Schlachter, A. S.; Ballance, C. P.; McLaughlin, B. M. [Department of Physics, MS 220, University of Nevada, Reno, Nevada 89557-0058 (United States); Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Apartado Postal 6-96, Cuernavaca 62131, Morelos (Mexico); Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States); Department of Physics, Auburn University, Auburn, Alabama 36840 (United States); Institute for Theoretical Atomic and Molecular Physics, Harvard Smithsonian Center for Astrophysics, 60 Garden Street, MS-14, Cambridge, Massachusetts 02138 (United States)

    2011-07-15

    Absolute cross-section measurements for valence-shell photoionization of Ar{sup +} ions are reported for photon energies ranging from 27.4 to 60.0 eV. The data, taken by merging beams of ions and synchrotron radiation at a photon energy resolution of 10 meV, indicate that the primary ion beam was a statistically weighted mixture of the {sup 2}P{sub 3/2}{sup o} ground state and the {sup 2}P{sub 1/2}{sup o} metastable state of Ar{sup +}. Photoionization of this Cl-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Observed resonance line shapes indicate interference between indirect and direct photoionization channels. Resonance features are spectroscopically assigned and their energies and quantum defects are tabulated. The measurements are satisfactorily reproduced by theoretical calculations based on an intermediate coupling semirelativistic Breit-Pauli approximation.

  12. Coherent and incoherent processes in resonant photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Magnuson, M.; Karis, O.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    In this contribution the authors present the distinction between coherent and incoherent processes in resonant photoemission. As a first step they determine whether an autoionization process is photoemission-like or Auger-like. The discussion is based on measurements for a weakly bonded adsorption system, Ar/Pt(111). This type of system is well adapted to investigate these effects since it yields distinctly shifted spectral features depending on the nature of the process. After this, the question of resonance photoemission in metallic systems is addressed. This is done in connection with measurements at the 2p edges for Ni metal. Ni has been one of the prototype systems for resonant photoemission. The resonances have been discussed in connection with the strong correlation and d-band localization effects in this system. Based on the results some general comments about the appearance of resonant effects in metallic systems are made.

  13. Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory

    Energy Technology Data Exchange (ETDEWEB)

    Lopata, Kenneth A.; Govind, Niranjan

    2013-11-12

    We present a real-time time-dependent density functional theory (RT-TDDFT) prescription for capturing near and post-ionization excitations based on non-Hermitian von Neumann density matrix propagation with atom-centered basis sets, tuned range-separated DFT, and a phenomenological imaginary molecular orbital-based absorbing potential to mimic coupling to the continuum. The computed extreme ultraviolet absorption spectra for acetylene (C2H2), water (H2O), and Freon 12 (CF2Cl2) agree well with electron energy loss spectroscopy (EELS) data over the range 0 to 50 eV. The absorbing potential removes spurious high energy finite basis artifacts, yielding correct bound to bound transitions, metastable (autoionizing) resonance states, and consistent overall absorption shapes.

  14. Fast ion atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Berry, H.G.; Young, L.; Goodman, L.S.; Somerville, L.P.; Hardis, J.; Neek, D.

    1984-01-01

    We have set up two collinear fast beam/laser excitation systems, one at the Argonne Dynamitron Accelerator (0.5 to 5.0 MeV beam energy) and another at a small electrostatic accelerator (20 to 130 keV). Our objective is to study fine structure, hyperfine structure and QED effects in ions of a few electrons. Initial projects underway include studies of multi-excited transitions in Li/sup -/ and Li/sup 0/, and transitions to high Rydberg states in H/sup 0/ and He/sup 0/. We have simultaneously excited a sodium jet with a laser at the resonance wavelength (D/sub 1/ or D/sub 2/ lines) and a 1-MeV He/sup +/ beam to produce excitation to autoionizing Na and Na/sup +/ states. The Auger electron spectra are compared to spectra obtained without laser excitation, and indicate strong variations in final state populations. 17 references.

  15. Non local thermodynamic equilibrium self-consistent average atom model for plasma physics

    International Nuclear Information System (INIS)

    Faussurier, G.; Blancard, Ch.; Berthier, E.

    2000-01-01

    A time-dependent collisional-radiative average-atom model is presented to study statistical properties of highly-charged ion plasmas in off-equilibrium conditions. Atomic structure is described either with a screened-hydrogenic model including l-splitting, or by calculating one electron states in a self-consistent average-atom potential. Collisional and radiative excitation/deexcitation and ionization/recombination rats, as well as auto-ionization and dielectronic recombination rates, are formulated within the average-configuration framework. A good agreement with experiment is found for the charge-state distribution of a gold plasma at electron and density temperature equal to 6 x 10 20 cm -3 and 2200 eV. (author)

  16. Photo association in metastable helium in the vicinity of the Bose-Einstein condensation and production of giant dimers; Photo-association de l'helium metastable au voisinage de la condensation de Bose-Einstein et formation de dimeres geants

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, J

    2003-11-15

    In the vicinity of Bose-Einstein condensation, the collisional properties of a dilute gas of metastable helium (He{sub 2}{sup 3}S) are governed by the rate of ionizing Penning collisions and the s-wave scattering length. In order to investigate these properties, we have carried out new photo-association experiments in which a pair of free atoms absorbs a photon to produce a molecule in an excited electronic state. In particular, we have observed 'giant dimers' for which the autoionizing process is inhibited. Accurate spectra have been acquired by the use of an original 'calorimetric' detection scheme. In addition, we have calculated long-range electronic potentials for the 2{sup 3} S + 2{sup 3} P system. Our asymptotic approach is described in detail, which reproduces the measured binding energies of the giant dimers with very good accuracy. (author)

  17. Photoionization of the Be-like O{sup 4} {sup +} ion: total and partial cross sections for the ground 2s{sup 2} {sup 1}S and excited 2s2p {sup 1,} {sup 3}P states

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dae-Soung [e-Business Department. Kyonggi Institute of Technology, Siheung, Jungwang-Dong 2121-3, Kyonggi-Do 429-792 (Korea, Republic of); Manson, Steven T, E-mail: dskim@kinst.ac.k [Department of Physics and Astronomy, Georgia State University, Atlanta, GA 30303 (United States)

    2010-08-14

    Photoionization cross sections of the Be-like O{sup 4} {sup +} ion in the photon energy region from the first threshold up to the O{sup 5} {sup +} 3d threshold have been calculated using a non-iterative variational R-matrix method combined with multichannel quantum-defect theory for the ground 2s{sup 2} {sup 1}S and excited 2s2p {sup 1,} {sup 3}P states. The partial cross sections are presented and the autoionizing resonance structures arising from the ground and excited states are identified and characterized. Our calculational results, which show excellent agreement between length and velocity gauges, are compared with the available experiment and previous calculations, and good agreement is found.

  18. US-Japan workshop on atomic collisions in solids: Abstracts of lectures

    International Nuclear Information System (INIS)

    1990-03-01

    This report contains abstracts on the following topics: techniques of scanning probe microscopy; new types of radiation; a search for wake-riding electrons using slow antiproton beams; antiproton wake: theory; bending of swift ion beams by graphite foils; angular momentum distribution of autoionizing rydberg states: produced by 64 MeV S ions in collisions with C foils; multiphonon energy exchange in atom-surface collisions; plans for positron experiments; resonant coherent excitation: experiment; line shapes in resonant coherent excitation: theory; MUSE experiments and Monte Carlo simulation; inelastic interactions of electrons and positrons with solids; density fluctuation detection; cluster-impact fusion; a model for cluster-impact fusion; thoughts on cold fusion; and plasmon decay

  19. How does methylation suppress the electron-induced decomposition of 1-methyl-nitroimidazoles?

    Science.gov (United States)

    Kossoski, F.; Varella, M. T. do N.

    2017-10-01

    The efficient decomposition of nitroimidazoles (NIs) by low energy electrons is believed to underlie their radiosensitizing properties. Recent dissociative electron attachment (DEA) measurements showed that methylation at the N1 site unexpectedly suppresses the electron-induced reactions in 4(5)-NI. We report theoretical results that provide a clear interpretation of that astounding finding. Around 1.5 eV, DEA reactions into several fragments are initiated by a π* resonance, not considered in previous studies. The autoionization lifetime of this anion state, which limits the predissociation dynamics, is considerably shorter in the methylated species, thereby suppressing the DEA signals. On the other hand, the lifetime of the π* resonance located around 3 eV is less affected by methylation, which explains why DEA is still observed at these energies. Our results demonstrate how even a simple methylation can significantly modify the probabilities for DEA reactions, which may be significant for NI-based cancer therapy.

  20. Polarization, alignment, and orientation in atomic collisions

    CERN Document Server

    Andersen, Nils

    2017-01-01

    This book covers polarization, alignment, and orientation effects in atomic collisions induced by electron, heavy particle, or photon impact. The first part of the book presents introductory chapters on light and particle polarization, experimental and computational methods, and the density matrix and state multipole formalism. Examples and exercises are included. The second part of the book deals with case studies of electron impact and heavy particle excitation, electron transfer, impact ionization, and autoionization. A separate chapter on photo-induced processes by new-generation light sources has been added. The last chapter discusses related topics and applications. Part III includes examples of charge clouds and introductory summaries of selected seminal papers of tutorial value from the early history of the field (1925 – 1975). The book is a significant update to the previous (first) edition, particularly in experimental and computational methods, the inclusion of key results obtained during the pas...

  1. Cs 62 DJ Rydberg-atom macrodimers formed by long-range multipole interaction

    Science.gov (United States)

    Han, Xiaoxuan; Bai, Suying; Jiao, Yuechun; Hao, Liping; Xue, Yongmei; Zhao, Jianming; Jia, Suotang; Raithel, Georg

    2018-03-01

    Long-range macrodimers formed by D -state cesium Rydberg atoms are studied in experiments and calculations. Cesium [62DJ]2 Rydberg-atom macrodimers, bonded via long-range multipole interaction, are prepared by two-color photoassociation in a cesium atom trap. The first color (pulse A) resonantly excites seed Rydberg atoms, while the second (pulse B, detuned by the molecular binding energy) resonantly excites the Rydberg-atom macrodimers below the [62DJ]2 asymptotes. The molecules are measured by extraction of autoionization products and Rydberg-atom electric-field ionization, and ion detection. Molecular spectra are compared with calculations of adiabatic molecular potentials. From the dependence of the molecular signal on the detection delay time, the lifetime of the molecules is estimated to be 3 -6 μ s .

  2. Study of the nature of the abovethreshold resonance radiation in lanthanum 4d-spectra and thorium 5d-spectra in compounds

    International Nuclear Information System (INIS)

    Zimkina, T.M.; Shulakov, A.S.; Brajko, A.P.; Lyakhovskaya, I.I.; Alaverdov, V.I.

    1982-01-01

    The results of experimental and theoretical investigation of the nature of above the threshold resonance radiation in lanthanum and thorium in compounds spectra are presented. The emission spectra of lanthanum and thorium oxides obtained at 500 V are shown. It is known that resonance absorption bands are narrower than the emission bands. This effect in addition has been confirmed in the course of investigation of absorption and emission spectra in several lanthanum compounds: LaF 3 , LaS, LaSe, LaSb. The bremsstrahlung spectrum calculation performed for high electron energies correctly defines the general structure of emission spectrum in the field of energies coinciding with a giant resonance in the absorption spectrum. The results obtained show the necessity of the subsequent more detailed experimental and theoretical study of radiation channel of the decay of excited autoionization states [ru

  3. Observation of 2p3d(1Po)→1s3d(1De) Radiative Transition in He-like Si, S, and Cl Ions

    Science.gov (United States)

    Kasthurirangan, S.; Saha, J. K.; Agnihotri, A. N.; Bhattacharyya, S.; Misra, D.; Kumar, A.; Mukherjee, P. K.; Santos, J. P.; Costa, A. M.; Indelicato, P.; Mukherjee, T. K.; Tribedi, L. C.

    2013-12-01

    We present an experimental determination of the 2p3d(Po1)→1s3d(De1) x-ray line emitted from He-like Si, S, and Cl projectile ions, excited in collisions with thin carbon foils, using a high-resolution bent-crystal spectrometer. A good agreement between the observation and state-of-the-art relativistic calculations using the multiconfiguration Dirac-Fock formalism including the Breit interaction and QED effects implies the dominance of fluorescent decay over the autoionization process for the 2p3d(Po1) state of He-like heavy ions. This is the first observation of the fluorescence-active doubly excited states in He-like Si, S, and Cl ions.

  4. Intense Interactions of Molecules with a Short-Wavelength Electromagnetic Radiation Field: I. The Fundamentals of the Nonadiabatic Theory

    Science.gov (United States)

    Pegarkov, A. I.

    2001-07-01

    The intense interactions between short-wavelength (SW) electromagnetic radiation with a wavelength λ ≥ 1 Å and intensity up to 1014 W/cm2 and simple and polyatomic molecules are studied with the coherent excitations of high-lying Rydberg and autoionizing states taken into account. The Hamiltonian of a system "molecule + SW radiation" is obtained by using the methods of quantum electrodynamics. Conditions for the applicability of the dipole approximation to describe the interactions of molecules with radiation of the UV, VUV, XUV, and soft X-ray range are found. The fundamentals of the theory of resonance scattering of SW radiation from diatomic, triatomic, and symmetric-and asymmetric-top polyatomic molecules are outlined.

  5. Development of an Ionization Scheme for Gold using the Selective Laser Ion Source at the On-Line Isotope Separator ISOLDE

    CERN Document Server

    Fedosseev, V; Marsh, B A; CERN. Geneva. AB Department

    2006-01-01

    At the ISOLDE on-line isotope separation facility, the resonance ionization laser ion source (RILIS) can be used to ionize reaction products as they effuse from the target. The RILIS process of laser step-wise resonance ionization of atoms in a hot metal cavity provides a highly element selective stage in the preparation of the radioactive ion beam. As a result, the ISOLDE mass separators can provide beams of a chosen isotope with greatly reduced isobaric contamination. The number of elements available at RILIS has been extended to 26, with the addition of a new three-step ionization scheme for gold. The optimal ionization scheme was determined during an extensive study of the atomic energy levels and auto-ionizing states of gold, carried out by means of in-source resonance ionization spectroscopy. Details of the ionization scheme and a summary of the spectroscopy study are presented.

  6. Determination of ionization potential of atomic gadolinium and its isotope effect. Analysis of unperturbed Rydberg series

    Energy Technology Data Exchange (ETDEWEB)

    Miyabe, Masabumi; Ohba, Masaki; Wakaida, Ikuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-10-01

    Autoionizing Rydberg series converging to six states (0, 261.841, 633.273, 3082.011, 3427.274, 3444.235 cm{sup -1}) of Gd ion have been observed by using three-color three-step photoionization via ten different 2nd-step levels of J=0 or 1. While the perturbations with interlopers become significant in the region of n=30-35 for most of the observed series, long and well-defined series structures appeared in higher energy region. From an analysis of such unperturbed structures, the first ionization potential of Gd atom was estimated to be 49601.45 (30) cm{sup -1}. This is in good agreement with the previous value, but the accuracy is improved by about one order of magnitude. In addition, isotope effect on the ionization potential was also determined by isotope shifts of some Rydberg series. (author)

  7. Amplitudes and state parameters from ion- and atom-atom excitation processes

    International Nuclear Information System (INIS)

    Andersen, T.; Horsdal-Pedersen, E.

    1984-01-01

    This chapter examines single collisions between two atomic species, one of which is initially in a 1 S state (there is only one initial spin channel). The collisions are characterized by a definite scattering plane and a definite orientation. Topics considered include an angular correlation between scattered particles and autoionization electrons or polarized photons emitted from states excited in atomic collisions (photon emission, electron emission, selectivity excited target atoms), experimental methods for obtaining information on the alignment and orientation parameters of atoms or ions excited in specific collisions, results of experiments and numerical calculations (quasi-oneelectron systems, He + -He collisions, other collision systems), and future aspects and possible applications of the polarizedphoton, scattered-particle coincidence techniques to atomic spectroscopy

  8. Electric microfield effects on argon dielectronic satellite lines in laser-produced plasmas

    International Nuclear Information System (INIS)

    Woltz, L.A.; Jacobs, V.L.; Hooper, C.F. Jr.; Mancini, R.J.

    1991-01-01

    Spectral line profiles have been calculated for the 1s21--2121' and 1s 2 21--1s2121' dielectronic satellite transitions of helium-like and lithium-like argon in dense, laser-produced plasmas. The plasma density range 10 22 --10 24 cm -3 and temperature range 600--1,000 eV were used in this study; this covers the transition between the regions of validity of the coronal and LTE plasma models. Broadening due to plasma ion microfields, electron collisions, autoionization, radiative decay, and the Doppler effect have been included in this calculation, as well as non-LTE level populations. The results of this work will be discussed, with an emphasis on the significance of the electric microfield on calculated satellite line ratios. These ratios are of interest as diagnostics for plasma densities and temperatures

  9. Studies of HeH: DR, RIP, VE, DE, PI, MN, …

    Directory of Open Access Journals (Sweden)

    Larson Åsa

    2015-01-01

    Full Text Available The resonant states of HeH are computed by combining structure calculations at a full configuration interaction level with electron scattering calculations carried out using the Complex-Kohn variational method. We obtain the potential energy curves, autoionization widths, as well as non-adiabatic couplings among the resonant states. Using the non-adiabatic couplings, the adiabatic to diabatic transformation matrix can be obtained. A strict diabatization of the resonant states will be used to study various scattering processes where the resonant states are involved. These processes involve high energy dissociative recombination (DR and ion-pair formation (RIP, resonant and direct dissociative excitation (DE, penning ionization (PI as well as mutual neutralization (MN.

  10. Photo association in metastable helium in the vicinity of the Bose-Einstein condensation and production of giant dimers

    International Nuclear Information System (INIS)

    Leonard, J.

    2003-11-01

    In the vicinity of Bose-Einstein condensation, the collisional properties of a dilute gas of metastable helium (He 2 3 S) are governed by the rate of ionizing Penning collisions and the s-wave scattering length. In order to investigate these properties, we have carried out new photo-association experiments in which a pair of free atoms absorbs a photon to produce a molecule in an excited electronic state. In particular, we have observed 'giant dimers' for which the autoionizing process is inhibited. Accurate spectra have been acquired by the use of an original 'calorimetric' detection scheme. In addition, we have calculated long-range electronic potentials for the 2 3 S + 2 3 P system. Our asymptotic approach is described in detail, which reproduces the measured binding energies of the giant dimers with very good accuracy. (author)

  11. Merged-beams energy-loss technique for electron-ion excitation: Absolute total cross sections for O5+(2s→2p)

    International Nuclear Information System (INIS)

    Bell, E.W.; Guo, X.Q.; Forand, J.L.; Rinn, K.; Swenson, D.R.; Thompson, J.S.; Dunn, G.H.; Bannister, M.E.; Gregory, D.C.; Phaneuf, R.A.; Smith, A.C.H.; Mueller, A.; Timmer, C.A.; Wahlin, E.K.; DePaola, B.D.; Belic, D.S.

    1994-01-01

    A merged-beams electron-energy-loss technique is described, by which absolute cross sections can be measured for near-threshold electron-impact excitation of multipy charged ions. Results are reported here for absolute total electron-impact excitation cross sections for the O 5+ (2s→2p) transition from below threshold to 1.6 eV above threshold. The experimental data are in good agremeent with a seven-state close-coupling calculation throughout the energy range of the experiment. Results agree with calculations showing that more than 90% of the electrons causing excitation are ejected in the backward direction in the center-of-mass frame. This backscattering is shown in both quantum-mechanical and semiclassical calculations. Evidence is observed for high-lying metastable autoionizing states with a lifetime of approximately 0.9 μs which are made to ionize by electron impact

  12. Photoionization bands of rubidium molecule

    Science.gov (United States)

    Rakić, M.; Pichler, G.

    2018-03-01

    We studied the absorption spectrum of dense rubidium vapor generated in a T-type sapphire cell with a special emphasis on the structured photoionization continuum observed in the 200-300 nm spectral region. The photoionization spectrum has a continuous atomic contribution with a pronounced Seaton-Cooper minimum at about 250 nm and a molecular photoionization contribution with many broad bands. We discuss the possible origin of the photoionization bands as stemming from the absorption from the ground state of the Rb2 molecule to excited states of Rb2+* and to doubly excited autoionizing states of Rb2** molecule. All these photoionization bands are located above the Rb+ and Rb2+ ionization limits.

  13. Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F.; Riera, A.; Yaez, M.

    1986-12-01

    In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s/sup 2/) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail.

  14. Code ATOM for calculation of atomic characteristics

    International Nuclear Information System (INIS)

    Vainshtein, L.A.

    1990-01-01

    In applying atomic physics to problems of plasma diagnostics, it is necessary to determine some atomic characteristics, including energies and transition probabilities, for very many atoms and ions. Development of general codes for calculation of many types of atomic characteristics has been based on general but comparatively simple approximate methods. The program ATOM represents an attempt at effective use of such a general code. This report gives a brief description of the methods used, and the possibilities of and limitations to the code are discussed. Characteristics of the following processes can be calculated by ATOM: radiative transitions between discrete levels, radiative ionization and recombination, collisional excitation and ionization by electron impact, collisional excitation and ionization by point heavy particle (Born approximation only), dielectronic recombination, and autoionization. ATOM explores Born (for z=1) or Coulomb-Born (for z>1) approximations. In both cases exchange and normalization can be included. (N.K.)

  15. Dielectronic recombination rate coefficients to excited states of Be-like oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Izumi; Safronova, Ulyana I.; Kato, Takako

    2001-05-01

    We have calculated energy levels, radiative transition probabilities, and autoionization rates for Be-like oxygen (O{sup 4+}) including ls{sup 2}2lnl' (n=2 - 8, l {<=} n - 1) and 1s{sup 2}3l'nl (n=3 - 6, l {<=} n - l) states by multi-configurational Hartree-Fock method (Cowan code) and perturbation theory Z-expansion method (MZ code). The state selective dielectronic recombination rate coefficients to excited states of Be-like O ions are obtained. Configuration mixing plays an important role for the principal quantum number n distribution of the dielectronic recombination rate coefficients for 2snl (n {<=} 5) levels at low electron temperature. The orbital angular momentum quantum number l distribution of the rate coefficients shows a peak at l = 4. The total dielectronic recombination rate coefficient is derived as a function of electron temperature. (author)

  16. Auto transfer to Rydberg states and indirect stabilization following double capture

    Energy Technology Data Exchange (ETDEWEB)

    Roncin, P.; Gaboriaud, M.N.; Barat, M. (Paris-11 Univ., 91 - Orsay (France)); Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Benhenni, M. (Toulouse-3 Univ., 31 (France)); Bachau, H.; Harel, C. (Bordeaux-1 Univ., 33 (France))

    1993-11-28

    Two-electron capture by slow multiply charged ions colliding on rare-gas target at keV energies is known to populate doubly excited states of the projectile with large cross sections. Though these states are dominantly autoionizing, important radiative decay following double capture have been reported, among which the direct observation of the fluorescence from Rydberg states. A mechanism based on post-collisional effects was proposed, in which Rydberg states are fed from the quasi-symmetrical doubly excited states initially populated. In this paper, a quantitative analysis of this effect is developed leading to a simple model which is applied to N[sup 7+] on He and Ar collisions. (author).

  17. Doubly excited helium. From strong correlation to chaos

    International Nuclear Information System (INIS)

    Jiang, Yuhai

    2006-03-01

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I 15 , and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I 5 to I 9 and I 7 , respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I 4 were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I 4 by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  18. Role of water in the tribochemical removal of bare silicon

    International Nuclear Information System (INIS)

    Chen, Cheng; Xiao, Chen; Wang, Xiaodong; Zhang, Peng; Chen, Lei; Qi, Yaqiong; Qian, Linmao

    2016-01-01

    Highlights: • The wear of bare silicon against SiO 2 micro-spherical tip is a tribochemical process with participation of water. • The water amount at Si/SiO 2 interface plays a significant role on the wear of bare silicon. • The role of water relies on the hydroxylation by auto-ionized OH − , the hydrolysis of H 2 O molecules, and the dissolution of SiO m H n in water. - Abstract: Nanowear tests of bare silicon against a SiO 2 microsphere were conducted in air (relative humidity [RH] = 0%–89%) and water using an atomic force microscope. Experimental results revealed that the water played an important role in the tribochemical wear of the bare silicon. A hillock-like wear trace with a height of 0.7 nm was generated on the bare silicon surface in dry air. As the RH increased, the wear depth increased and reached the maximum level in water. Analysis of frictional dissipated energy suggested that the wear of the bare silicon was not dominated by mechanical interactions. High-resolution transmission electron microscopy detection demonstrated that the silicon atoms and crystal lattice underneath the worn area maintained integral perfectly and thus further confirmed the tribochemical wear mechanism of the bare silicon. Finally, the role of water in the tribochemical wear of the bare silicon may be explained by the following three aspects: the hydroxylation by hydroxyl ions auto-ionized in water, the hydrolytic reaction of water molecules, and the dissolution of the tribochemical product SiO m H n in liquid water. With increasing RH, a greater water amount would adsorb to the Si/SiO 2 interface and induce a more serious tribochemical wear on the bare silicon surface. The results of this paper may provide further insight into the tribochemical removal mechanism of bare monocrystalline silicon and furnish the wider reaction cognition for chemical mechanical polishing.

  19. Experimental (e, 2e) study of exchange interferences in the resonant Auger decay of Ar induced by electron impact

    International Nuclear Information System (INIS)

    Paripás, Béla; Palásthy, Béla; Žitnik, Matjaz

    2013-01-01

    Highlights: •The interference of autoionizing resonances with a common final ionic state is measured. •We have developed a method to experimentally verify for the exchange interference effect. •The sum of kinetic energies of the two detected electrons is kept constant. •Mainly the interference effects of [2p 3/2 ]4p and [2p 1/2 ]4p resonances in argon are studied. •The results possibly indicate small exchange interference effects. -- Abstract: Any two autoionizing resonances with a common final ionic state can be made to interfere by an appropriate selection of electron impact energy. To reveal the exchange interference effects a selective detection of electron pairs related to the selected final state is desired. We have performed a constant ionic state (e, 2e) experiment (CIS) isolating the final state by keeping the sum of transmission energies of two independent electron spectrometers constant. In the focus of this work are the exchange interference effects of 2p 3/2 −1 4p and 2p 1/2 −1 4p resonances in argon decaying to the 3p −2 ( 1 D)4p 2 P, 2 D final ionic state with energy E F = 37.3 ± 0.2 eV. We have developed a method to experimentally verify for the exchange interference effect. It is based on a comparison of the CIS spectrum recorded at the critical primary electron energy that activates the interferences, and the constructed, interference-free CIS spectrum that is build up from the CIS spectrum measured at primary electron energy away from the critical value. The results possibly indicate small exchange interference effects that may have been considerably smeared out at present experimental energy resolution

  20. Doubly excited helium. From strong correlation to chaos

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yuhai

    2006-03-15

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I{sub 15}, and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I{sub 5} to I{sub 9} and I{sub 7}, respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I{sub 4} were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I{sub 4} by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  1. Threshold photoelectron spectroscopy of the methyl radical isotopomers, CH3, CH2D, CHD2 and CD3: synergy between VUV synchrotron radiation experiments and explicitly correlated coupled cluster calculations.

    Science.gov (United States)

    Cunha de Miranda, Bárbara K; Alcaraz, Christian; Elhanine, Mohamed; Noller, Bastian; Hemberger, Patrick; Fischer, Ingo; Garcia, Gustavo A; Soldi-Lose, Héloïse; Gans, Bérenger; Mendes, Luiz A Vieira; Boyé-Péronne, Séverine; Douin, Stéphane; Zabka, Jan; Botschwina, Peter

    2010-04-15

    Threshold photoelectron spectra (TPES) of the isotopomers of the methyl radical (CH(3), CH(2)D, CHD(2), and CD(3)) have been recorded in the 9.5-10.5 eV VUV photon energy range using third generation synchrotron radiation to investigate the vibrational spectroscopy of the corresponding cations at a 7-11 meV resolution. A threshold photoelectron-photoion coincidence (TPEPICO) spectrometer based on velocity map imaging and Wiley-McLaren time-of-flight has been used to simultaneously record the TPES of several radical species produced in a Ar-seeded beam by dc flash-pyrolysis of nitromethane (CH(x)D(y)NO(2), x + y = 3). Vibrational bands belonging to the symmetric stretching and out-of-plane bending modes have been observed and P, Q, and R branches have been identified in the analysis of the rotational profiles. Vibrational configuration interaction (VCI), in conjunction with near-equilibrium potential energy surfaces calculated by the explicitly correlated coupled cluster method CCSD(T*)-F12a, is used to calculate vibrational frequencies for the four radical isotopomers and the corresponding cations. Agreement with data from high-resolution IR spectroscopy is very good and a large number of predictions is made. In particular, the calculated wavenumbers for the out-of-plane bending vibrations, nu(2)(CH(3)(+)) = 1404 cm(-1), nu(4)(CH(2)D(+)) = 1308 cm(-1), nu(4)(CHD(2)(+)) = 1205 cm(-1), and nu(2)(CD(3)(+)) = 1090 cm(-1), should be accurate to ca. 2 cm(-1). Additionally, computed Franck-Condon factors are used to estimate the importance of autoionization relative to direct ionization. The chosen models globally account for the observed transitions, but in contrast to PES spectroscopy, evidence for rotational and vibrational autoionization is found. It is shown that state-selected methyl cations can be produced by TPEPICO spectroscopy for ion-molecule reaction studies, which are very important for the understanding of the planetary ionosphere chemistry.

  2. Role of water in the tribochemical removal of bare silicon

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Cheng; Xiao, Chen [Tribology Research Institute, National Traction Power Laboratory, Southwest Jiaotong University, Chengdu 610031 (China); Wang, Xiaodong [Center of Micro/Nano Science and Technology, Jiangsu University, Zhenjiang 212013 (China); Zhang, Peng; Chen, Lei; Qi, Yaqiong [Tribology Research Institute, National Traction Power Laboratory, Southwest Jiaotong University, Chengdu 610031 (China); Qian, Linmao, E-mail: linmao@swjtu.edu.cn [Tribology Research Institute, National Traction Power Laboratory, Southwest Jiaotong University, Chengdu 610031 (China)

    2016-12-30

    Highlights: • The wear of bare silicon against SiO{sub 2} micro-spherical tip is a tribochemical process with participation of water. • The water amount at Si/SiO{sub 2} interface plays a significant role on the wear of bare silicon. • The role of water relies on the hydroxylation by auto-ionized OH{sup −}, the hydrolysis of H{sub 2}O molecules, and the dissolution of SiO{sub m}H{sub n} in water. - Abstract: Nanowear tests of bare silicon against a SiO{sub 2} microsphere were conducted in air (relative humidity [RH] = 0%–89%) and water using an atomic force microscope. Experimental results revealed that the water played an important role in the tribochemical wear of the bare silicon. A hillock-like wear trace with a height of 0.7 nm was generated on the bare silicon surface in dry air. As the RH increased, the wear depth increased and reached the maximum level in water. Analysis of frictional dissipated energy suggested that the wear of the bare silicon was not dominated by mechanical interactions. High-resolution transmission electron microscopy detection demonstrated that the silicon atoms and crystal lattice underneath the worn area maintained integral perfectly and thus further confirmed the tribochemical wear mechanism of the bare silicon. Finally, the role of water in the tribochemical wear of the bare silicon may be explained by the following three aspects: the hydroxylation by hydroxyl ions auto-ionized in water, the hydrolytic reaction of water molecules, and the dissolution of the tribochemical product SiO{sub m}H{sub n} in liquid water. With increasing RH, a greater water amount would adsorb to the Si/SiO{sub 2} interface and induce a more serious tribochemical wear on the bare silicon surface. The results of this paper may provide further insight into the tribochemical removal mechanism of bare monocrystalline silicon and furnish the wider reaction cognition for chemical mechanical polishing.

  3. K-shell photoionization of ground-state Li-like carbon ions [C{sup 3+}]: experiment, theory and comparison with time-reversed photorecombination

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, A; Schippers, S [Institut fuer Atom- und Molekuelphysik, Justus-Liebig-Universitaet Giessen, 35392 Giessen (Germany); Phaneuf, R A; Scully, S W J; Aguilar, A; Covington, A M; Emmons, E D; Gharaibeh, M F [Department of Physics, University of Nevada, Reno, NV 89557 (United States); Alvarez, I; Cisneros, C; Hinojosa, G [Centro de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Apartado Postal 6-96, Cuernavaca 62131 (Mexico); Schlachter, A S [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); McLaughlin, B M, E-mail: b.mclaughlin@qub.ac.u [School of Mathematics and Physics, Queen' s University Belfast, David Bates Building, 7 College Park, Belfast BT7 1NN (United Kingdom)

    2009-12-14

    Absolute cross sections for the K-shell photoionization of ground-state Li-like carbon [C{sup 3+}(1s{sup 2}2s {sup 2}S)] ions were measured by employing the ion-photon merged-beams technique at the Advanced Light Source. The energy ranges 299.8-300.15 eV, 303.29-303.58 eV and 335.61-337.57 eV of the [1s(2s2p){sup 3}P]{sup 2}P, [1s(2s2p){sup 1}P]{sup 2}P and [(1s2s){sup 3}S 3p]{sup 2}P resonances, respectively, were investigated using resolving powers of up to 6000. The autoionization linewidth of the [1s(2s2p){sup 1}P]{sup 2}P resonance was measured to be 27 +- 5 meV and compares favourably with a theoretical result of 26 meV obtained from the intermediate coupling R-matrix method. The present photoionization cross section results are compared with the outcome from photorecombination measurements by employing the principle of detailed balance.

  4. Fluorescence excitation involving multiple electron transition states of N{sub 2} and CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Wu, C.Y.R.; Chen, F.Z.; Hung, T.; Judge, D.L. [Univ. of Southern California, Los Angeles, CA (United States)

    1997-04-01

    The electronic states and electronic structures of N{sub 2} and CO{sub 2} in the 8-50 eV energy region have been studied extensively both experimentally and theoretically. In the energy region higher than 25 eV there exists many electronic states including multiple electron transition (MET) states which are responsible for producing most of the dissociative photoionization products. The electronic states at energies higher than 50 eV have been mainly determined by Auger spectroscopy, double charge transfer, photofragment spectroscopy and ion-ion coincidence spectroscopy. The absorption and ionization spectra of these molecules at energies higher than 50 eV mainly show a monotonic decrease in cross section values and exhibit structureless features. The decay channels of MET and Rydberg (or superexcited) states include autoionization, ionization, dissociative ionization, predissociation, and dissociation while those of single ion and multiple ion states may involve predissociation. and dissociation processes. The study of fluorescence specifically probes electronically excited species resulting from the above-mentioned decay channels and provides information for understanding the competition among these channels.

  5. Collisional-radiative model including recombination processes for W27+ ion★

    Science.gov (United States)

    Murakami, Izumi; Sasaki, Akira; Kato, Daiji; Koike, Fumihiro

    2017-10-01

    We have constructed a collisional-radiative (CR) model for W27+ ions including 226 configurations with n ≤ 9 and ł ≤ 5 for spectroscopic diagnostics. We newly include recombination processes in the model and this is the first result of extreme ultraviolet spectrum calculated for recombining plasma component. Calculated spectra in 40-70 Å range in ionizing and recombining plasma components show similar 3 strong lines and 1 line weak in recombining plasma component at 45-50 Å and many weak lines at 50-65 Å for both components. Recombination processes do not contribute much to the spectrum at around 60 Å for W27+ ion. Dielectronic satellite lines are also minor contribution to the spectrum of recombining plasma component. Dielectronic recombination (DR) rate coefficient from W28+ to W27+ ions is also calculated with the same atomic data in the CR model. We found that larger set of energy levels including many autoionizing states gave larger DR rate coefficients but our rate agree within factor 6 with other works at electron temperature around 1 keV in which W27+ and W28+ ions are usually observed in plasmas. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, and Grzegorz Karwasz.

  6. Theoretical study of the dielectronic recombination process of Li-like Xe51+ ions

    Science.gov (United States)

    Dou, Lijun; Xie, Luyou; Zhang, Denghong; Dong, Chenzhong; Wen, Weiqiang; Huang, Zhongkui; Ma, Xinwen

    2017-05-01

    The dielectronic recombination of Li-like Xe51+ (2s) ions was studied using the flexible atomic code based on the relativistic configuration interaction method. The resonance energies, radiative and autoionization rates, and resonance strengths were calculated systematically for the doubly excited states (2p1/2nlj)J(n = 18-32) and (2p3/2n'lj)J(n' = 9-27) of Be-like Xe50+ ions. For the higher Rydberg resonance states with n ≥ 33 and n' ≥ 28, the resonance energies and strengths were obtained by extrapolation based on quantum defect theory. The theoretical rate coefficients, covering the center-of-mass energy range 0-505 eV, are in a better agreement with the experimental results measured at the heavy-ion storage ring ESR than the Multi-Configuration Dirac-Fock calculations, especially at the resonance energy range close to the series limits. Contribution to the Topical Issue: "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  7. Non-linear photoelectron effect contributes to the formation of negative matrix ions in UV-MALDI.

    Science.gov (United States)

    Alonso, E; Zenobi, R

    2016-07-20

    The mechanism of negative ion formation in matrix-assisted laser desorption/ionization (MALDI) is less well understood than that of positive ions: electron capture, disproportionation, and liberation of negatively charged sample molecules or clusters have been proposed to produce the initial anions in MALDI. Here, we propose that the non-linear photoelectric effect can explain the emission of electrons from the metallic target material. Moreover, electrons with sufficient kinetic energy (0-10 eV) could be responsible for the formation of initial negative ions. Gas-phase electron capture by neutral 2,5-dihydroxy benzoic acid (DHB) to yield M(-) is investigated on the basis of a coupled physical and chemical dynamics (CPCD) theory from the literature. A three-layer energy mass balance model is utilized to calculate the surface temperature of the matrix, which is used to determine the translational temperature, the number of desorbed matrix molecules per unit area, and the ion velocity. Calculations of dissociative attachment and autoionization rates of DHB are presented. It was found that both processes contribute significantly to the formation of [M - H](-) and [M - H2](-), although the predicted yield in the fluence range of 5-100 mJ cm(-2) is low, certainly less than that for positive ions M(+). This work represents the first proposal for a comprehensive theoretical description of negative ion formation in UV-MALDI.

  8. Ionization photophysics and spectroscopy of dicyanoacetylene

    International Nuclear Information System (INIS)

    Leach, Sydney; Champion, Norbert; Schwell, Martin; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Garcia, Gustavo A.; Gaie-Levrel, François; Guillemin, Jean-Claude

    2013-01-01

    Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A 2 Π g , B 2 Σ g + states as well as the C 2 Σ u + and D 2 Π u states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D 2 Π u state of C 4 N 2 + . The appearance energies of the fragment ions C 4 N + , C 3 N + , C 4 + , C 2 N + , and C 2 + were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways

  9. Photoelectron imaging following 2 + 1 multiphoton excitation of HBr.

    Science.gov (United States)

    Romanescu, Constantin; Loock, Hans-Peter

    2006-07-07

    The photodissociation and photoionization dynamics of HBr via low-n Rydberg and ion-pair states was studied by using 2 + 1 REMPI spectroscopy and velocity map imaging of photoelectrons. Two-photon excitation at about 9.4-10 eV was used to prepare rotationally selected excited states. Following absorption of the third photon the unperturbed F (1)Delta(2) and i (3)Delta(2) states ionize directly into the ground vibrational state of the molecular ion according to the Franck-Condon principle and upon preservation of the ion core. In case of the V (1)Sigma(+)(0(+)) ion-pair state and the perturbed E (1)Sigma(+)(0(+)), g (3)Sigma(-)(0(+)), and H (1)Sigma(+)(0(+)) Rydberg states the absorption of the third photon additionally results in a long vibrational progression of HBr(+) in the X (2)Pi state as well as formation of electronically excited atomic photofragments. The vibrational excitation of the molecular ion is explained by autoionization of repulsive superexcited states into the ground state of the molecular ion. In contrast to HCl, the perturbed Rydberg states of HBr show strong participation of the direct ionization process, with ionic core preservation.

  10. Rydberg and valence state excitation dynamics: a velocity map imaging study involving the E-V state interaction in HBr.

    Science.gov (United States)

    Zaouris, Dimitris; Kartakoullis, Andreas; Glodic, Pavle; Samartzis, Peter C; Rafn Hróðmarsson, Helgi; Kvaran, Ágúst

    2015-04-28

    Photoexcitation dynamics of the E((1)Σ(+)) (v' = 0) Rydberg state and the V((1)Σ(+)) (v') ion-pair vibrational states of HBr are investigated by velocity map imaging (VMI). H(+) photoions, produced through a number of vibrational and rotational levels of the two states were imaged and kinetic energy release (KER) and angular distributions were extracted from the data. In agreement with previous work, we found the photodissociation channels forming H*(n = 2) + Br((2)P3/2)/Br*((2)P1/2) to be dominant. Autoionization pathways leading to H(+) + Br((2)P3/2)/Br*((2)P1/2) via either HBr(+)((2)Π3/2) or HBr(+)*((2)Π1/2) formation were also present. The analysis of KER and angular distributions and comparison with rotationally and mass resolved resonance enhanced multiphoton ionization (REMPI) spectra revealed the excitation transition mechanisms and characteristics of states involved as well as the involvement of the E-V state interactions and their v' and J' dependence.

  11. The first detection of ionized helium in the local ISM - EUVE and IUE spectroscopy of the hot DA white dwarf GD 246

    Science.gov (United States)

    Vennes, Stephane; Dupuis, Jean; Rumph, Todd; Drake, Jeremy; Bowyer, Stuart; Chayer, Pierre; Fontaine, Gilles

    1993-01-01

    We report observations of the extreme ultraviolet spectrum of the hot degenerate star GD 246 obtained with the EUVE. Our initial attempt at modeling the photospheric emission from the white dwarf reveals a relatively uncontaminated pure H spectrum in the range above 200 A, allowing a study of interstellar continuum absorption features in the line of sight of GD 246. Modeling of the He I autoionization transition discussed by Rumph et al. (1993), and the EUV continuum using the white dwarf as a source of background radiation provides measurements of both neutral and, for the first time, singly ionized He column densities in the local ISM (LISM). We estimate the He ionization fraction He II/(He I + He II) at roughly 25 percent with a total He column of 1.40-1.65 x 10 exp 18/sq cm. We have measured and compared H I column densities from the saturated Ly-alpha ISM absorption in IUE high-dispersion spectroscopy and from EUV continuum absorption: the two measurements are in good agreement with a total H column of 1.2-1.6 x 10 exp 19/sq cm. We discuss some implications for the nature of the LISM, particularly in the context of current models of the EUV radiation field.

  12. Near-threshold effects in ionization of atoms (post collision interaction)

    International Nuclear Information System (INIS)

    Amus'ya, M.Ya.; Kuchiev, M.Yu.; Shejnerman, S.A.

    1979-01-01

    The special class of phenomena of the post collision interaction PCI taking place in case of inelastic electron scattering on atoms, when the incident electron energy is close to the excitement threshold of an autoionization state, is studied. The quantitative quantum-mechanical theory of the PCI is developed. The theory is based only on the supposition that the change of the field in which a slow electron moves takes place in such a small time interval that the interaction of a fast and slow electron can be neglected. The possibility of carrying out calculations giving the direct comparison with the experimental results are shown in the concrete examples. All possible PCI effects such as the shift of the maximum in the energy distribution of fast (or slow) electrons, the asymmetry of the contour form and its broadening, the change of the angular distribution of slow electrons, have been practically illustrated. It is shown that the interaction of a slow electron and a vacancy in the final state essentially affects the process characteristics. Taking into account PCI in the concrete process calculations made it possible to get an acceptable agreement with the available experimental data

  13. Fast-electron-impact study on excitations of 4p, 4s, and 3d electrons of krypton

    International Nuclear Information System (INIS)

    Yuan Zhensheng; Zhu Linfan; Liu Xiaojing; Li Wenbin; Cheng Huadong; Xu Kezun; Zhong Zhiping

    2002-01-01

    Absolute optical oscillator strength densities for the excitations of the electrons 4p, 4s, and 3d have been measured. Their absolute optical oscillator strengths have also been obtained. An enhancement above the 4p ionization threshold in the photoabsorption spectrum was assigned as a delayed maximum which arises from the photoionization process of 4p→εd according to present Dirac-Slater calculation. In the energy region of 4s autoionization, we have observed several features that are absent in previous fast-electron-impact work, but exist in optical measurements. We clarify this discrepancy here. Two Rydberg series of optically forbidden transitions, i.e., 4s -1 ns( 1 S) (n=5,6,7) and 4s -1 nd( 1 D) (n=4,5,6,7) have been observed when the spectrometer worked at conditions with larger momentum transfers, namely, K 2 =0.23 a.u. and 0.67 a.u. Furthermore, the absolute optical oscillator strengths for the 3d excitation have been obtained

  14. Characteristics of photoionization in the XUV domain for the excited 1s{sup 2}2s2p{sup 1,3}P{sup o} states of the Be-like C{sup 2+} ion

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dae-Soung [e-Business Department, Kyonggi Institute of Technology, Siheung, Jungwang-Dong 2121-3, Kyonggi-Do 429-450 (Korea, Republic of); Kim, Young Soon [Department of Physics, Myongji University, Yongin 449-728 (Korea, Republic of)

    2007-10-14

    Resonance structures and their characteristics in the photoionization of the first excited p-states of Be-like C{sup 2+} ion which interact with the even-parity continua have been studied up to the C{sup 3+} 3d threshold limit. Using the variational R-matrix method, calculations have been performed in the initial 20 and final 22 state close-coupling approximations in the photon wavelength range 15-35 nm. The detailed photoionization processes of included multichannels are displayed in the partial photoionization cross sections, which contain a number of autoionizing Rydberg series of resonances converging to the C{sup 3+} 2p, 3s, 3p and 3d thresholds. In particular, the lower members of the Rydberg series showing irregular patterns of resonances, which lie above the C{sup 3+} 2p threshold, are identified and resonance positions E{sub r}, effective quantum numbers n*, and widths {gamma} are presented. Excellent agreement between length and velocity gauge results is found, along with overall good agreement with previous work, except for the discrepancies with the threshold behaviour of the OP (opacity project) result.

  15. Electronic Structure of Helium Atom in a Quantum Dot

    Science.gov (United States)

    Saha, Jayanta K.; Bhattacharyya, S.; Mukherjee, T. K.

    2016-03-01

    Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method. To be specific, precise energy eigenvalues of bound 1sns (1Se) (n = 1-6) states and the resonance parameters i.e. positions and widths of 1Se states due to 2sns (n = 2-5) and 2pnp (n = 2-5) configurations of confined helium below N = 2 ionization threshold of He+ have been estimated. The two-parameter (Depth and Width) finite oscillator potential is used to represent the confining potential due to the quantum dot. It has been explicitly demonstrated that the electronic structural properties become sensitive functions of the dot size. It is observed from the calculations of ionization potential that the stability of an impurity ion within a quantum dot may be manipulated by varying the confinement parameters. A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the width of the quantum cavity is also discussed here. TKM Gratefully Acknowledges Financial Support under Grant No. 37(3)/14/27/2014-BRNS from the Department of Atomic Energy, BRNS, Government of India. SB Acknowledges Financial Support under Grant No. PSW-160/14-15(ERO) from University Grants Commission, Government of India

  16. Spaced resolved analysis of suprathermal electrons in dense plasma

    Directory of Open Access Journals (Sweden)

    Moinard A.

    2013-11-01

    Full Text Available The investigation of the hot electron fraction is a crucial topic for high energy density laser driven plasmas: first, energy losses and radiative properties depend strongly on the hot electron fraction and, second, in ICF hohlraums suprathermal electrons preheat the D-T-capsule and seriously reduce the fusion performance. In the present work we present our first experimental and theoretical studies to analyze single shot space resolved hot electron fractions inside dense plasmas via optically thin X-ray line transitions from autoionizing states. The benchmark experiment has been carried out at an X-pinch in order to create a dense, localized plasma with a well defined symmetry axis of hot electron propagation. Simultaneous high spatial and spectral resolution in the X-ray spectral range has been obtained with a spherically bent quartz Bragg crystal. The high performance of the X-ray diagnostics allowed to identify space resolved hot electron fractions via the X-ray spectral distribution of multiple excited states.

  17. Separation of uranium isotopes by selective photoionization

    International Nuclear Information System (INIS)

    Snavely, B.B.; Solarz, R.W.; Tuccio, S.A.

    1975-01-01

    Recent results of experiments on the laser photoseparation of U isotopes are reported. In the first series of experiments a two-step ionization process using a Xe laser to excite the atoms below the ionization level and then a Kr laser to ionize the atoms was described. Under the geometric conditions of the experiment and power of the Kr laser, enrichments between 2.5 and 3 percent were obtained in runs lasting 2 hrs. Calculations to describe the ion trajectories in the collector system reflected the two-band pattern observed on the Be collector plate. A system to study the photoionization process was assembled in which the U beam is excited to a desired energy level with a CW dye laser and an ultraviolet beam intercepts the excited U beam. An analysis of a photoionization spectrum obtained at a resolution of 8 A indicates that the peak cross section for transitions to autoionization states from the 7 M 7 level is large enough to be used in large-scale U separation systems. An ionization value of 6.15 +- 0.2 eV was deduced for the ionization potential of the U atom. (U.S.)

  18. Progress in short period multilayer coatings for water window applications

    International Nuclear Information System (INIS)

    Gullikson, E.M.; Salmassi, F.; Aquila, A.L.; Dollar, F.

    2006-01-01

    Absolute photoionization cross-section measurements for a mixture of ground and metastable states of Xe4+, Xe5+, and Xe6+ are reported in the photon energy range of 4d-nf transitions, which occur within or adjacent to the 13.5 nm window for extreme ultraviolet lithography light source development. The reported values allow the quantification of opacity effects in xenon plasmas due to these 4d-4f autoionizing states. The oscillator strengths for the 4d-4f and 4d-5f transitions in Xeq+ (q=1-6) ions are calculated using nonrelativistic Hartree-Fock and random phase approximations. These are compared with published experimental values for Xe+ to Xe3+ and with the values obtained from the present experimental cross-section measurements for Xe4+ to Xe6+. The calculations assisted in the determination of the metastable content in the ion beams for Xe5+T and Xe6+. The experiments were performed by merging a synchrotron photon beam generated by an undulator beamline of the Advanced Light Source with an ion beam produced by an electron cyclotron resonance ion source

  19. Resonance ionization spectroscopy of Europium The first application of the PISA at ISOLDE-RILIS

    CERN Document Server

    AUTHOR|(CDS)2099873; Marsh, Bruce Alan

    The following work has been carried out at the radioactive ion beam facility ISOLDE at CERN. A compact atomic beam unit named PISA (Photo Ionization Spectroscopy Apparatus) has been implemented as a recent addition to the laboratory of the Resonance Ionization Laser Ion Source (RILIS). The scope of this thesis work was to demonstrate different applications of the PISA, using the existing and highly developed laser setup of the RILIS installation. In a demonstration of the suitability of PISA for ionization scheme development, a new ionization scheme for Europium has been developed. This resulted in the observation of several new autoionizing states and Rydberg series. Through the analysis of the observed Rydberg resonances a refined value of $45734.33(3)(3)$ cm$^{-1}$ for the ionization potential of the europium atom has been determined. In addition this thesis reports on the feasibility of the use of the PISA as a RILIS performance monitoring device during laser ion source operations. Finally the present wor...

  20. Reactive transport of aqueous protons in porous media

    KAUST Repository

    McNeece, Colin J.

    2016-10-09

    The sorption of protons determines the surface charge of natural media and is therefore a first-order control on contaminant transport. Significant effort has been extended to develop chemical models that quantify the sorption of protons at the mineral surface. To compare these models’ effect on predicted proton transport, we present analytic solutions for column experiments through silica sand. Reaction front morphology is controlled by the functional relationship between the total sorbed and total aqueous proton concentrations. An inflection point in this function near neutral pH leads to a reversal in the classic front formation mechanism under basic conditions, such that proton desorption leads to a self-sharpening front, while adsorption leads to a spreading front. A composite reaction front comprising both a spreading and self-sharpening segment can occur when the injected and initial concentrations straddle the inflection point. This behavior is unique in single component reactive transport and arises due to the auto-ionization of water rather than electrostatic interactions at the mineral surface. We derive a regime diagram illustrating conditions under which different fronts occur, highlighting areas where model predictions diverge. Chemical models are then compared and validated against a systematic set of column experiments.

  1. Dissociative photoionization of molecular hydrogen. A joint experimental and theoretical study of the electron-electron correlations induced by XUV photoionization and nuclear dynamics on IR-laser dressed transition states

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Andreas

    2015-01-13

    In this thesis, the dissociative single-ionization of molecular hydrogen is investigated in a kinematically complete experiment by employing extreme ultraviolet attosecond pulse trains and infrared femtosecond laser pulses. Induced by the absorption of a single XUV photon, a pronounced energy-dependent asymmetry of the relative emission direction of the photoelectron and the ion is observed. The asymmetry pattern is explained in terms of an interference of two ionization pathways involving a doubly-excited state. This interpretation is validated by a semi-classical model which only takes the nuclear motion into account. Using this model and the observed asymmetry, it is furthermore possible to disentangle the two dissociation pathways which allows for the determination of the autoionization lifetime of the contributing doubly-excited state as a function of the internuclear distance. Moreover, using a pump-probe experiment the dissociation dynamics of molecular hydrogen is investigated. A time-delay dependent momentum distribution of the fragments is observed. With a combined quantum mechanical and semi-classical approach the mechanism giving rise to the observed time-dependence is identified in terms of an intuitive elevator mechanism.

  2. Theoretical study of the near uv photoabsorption by the Kr2* excimer

    International Nuclear Information System (INIS)

    Harvey, J.F.

    1990-04-01

    The physical process responsible for near UV photoabsorption by the Kr* 2 excimer are examined and the energy dependence of the photoabsorption cross sections is calculated. Near UV photoabsorption by the Kr* 2 is a multiprocess phenomenon involving direct photoionization and concurrent photoexcitation to a repulsive resonance state, which subsequently autoionizes or dissociates. An adiabatic nuclei theory is developed, based on the use of Feshbach projection operators, to separate the ionization and dissociation channels, and to device photoionization and photodissociation cross sections. These cross sections are expressed in terms of parameters obtained from fixed nuclei electronic calculations and in terms wavefunctions describing nuclear motion. Stieltjes Tchebycheff Moment Theory (STMT) techniques are used to extract information concerning the ionization continuum from localized L 2 electronic wavefunctions obtained from molecular electronic structure codes. Problems in the application of STMT techniques to narrow spectral features are examined. The cause of these problems is determined to be the use of the histogram midpoint approximation in low order STMT quadratures. Techniques are then developed which significantly improve the accuracy of STMT calculations for an isolated, narrow, resonance in a single continuum. Improved treatment of resonance profiles is demonstrated for pure Fano profiles, a shape resonance in a model barrier-and-well potential, and a shape resonance in the K-shell photoionization spectrum of N 2 . The improved STMT techniques are then used to obtain the fixed nuclei resonance profiles in the spectrum of Kr 2

  3. Femtosecond quantum fluid dynamics of helium atom under an intense laser field

    International Nuclear Information System (INIS)

    Dey, B.K.

    1998-01-01

    A comprehensive, nonperturbative, time-dependent quantum mechanical (TDQM) approach is proposed for studying the dynamics of a helium atom under an intense, ultrashort (femtoseconds) laser pulse. The method combines quantum fluid dynamics (QFD) and density functional theory. It solves a single generalized nonlinear Schroedinger equation of motion (EOM), involving time and three space variables, which is obtained from two QFD equations, namely, a continuity equation and an Euler-type equation. A highly accurate finite difference scheme along with a stability analysis is presented for numerically solving the EOM. Starting from the ground-state Hartree-Fock density for He at t = 0, the EOM yields the time-dependent (TD) electron density, effective potential surface, difference density, difference effective potential, ground-state probability, left-angle r right-angle, magnetic susceptibility, polarizability, flux, etc. By a Fourier transformation of the TD dipole moment along the linearly polarized-field direction, the power and rate spectra for photoemission are calculated. eleven mechanistic routes for photoemission are identified, which include high harmonic generation as well as many other spectral transitions involving ionized, singly excited, doubly excited (autoionizing), and continuum He states, based on the evolution of the system up to a particular time. Intimate connections between photoionization and photoemission are clearly observed through computer visualizations. Apart from being consistent with current experimental and theoretical results, the present results offer certain predictions on spectral transitions which are open to experimental verification

  4. Dielectronic recombination of Be-like Fe ion

    International Nuclear Information System (INIS)

    Moribayashi, Kengo; Kato, Takako.

    1996-04-01

    Energy level(E), radiative transition probability(Ar), and autoionization rate(Aa) for Be-like Fe 22+ ion are calculated with use of Cowan's code. Using these atomic data, the dielectronic recombination rate coefficient(α) to the excited states and the intensity factor(Qd) of the dielectronic satellite lines have been calculated. The doubly excited states 1s 2 3lnl' as well as the 1s 2 2pnl of Fe 22+ ion are considered. The results are given in tables and figures. The n- and l-dependence for Ar, Aa, and α is studied. With use of it, Aa and Ar at large n are extrapolated. The dielectronic recombination processes from the 1s 2 2pnl and those from the 1s 2 3lnl' dominate at low and at high temperature, respectively. The qualitative different behaviors for E, Ar, and α between Be-like ions and He-like ions are discussed with use of atomic nuclear charge scaling. (author)

  5. Binary and ternary recombination of [image omitted] and [image omitted] ions with electrons in low temperature plasma

    Science.gov (United States)

    Glosík, J.; Plašil, R.; Kotrík, T.; Dohnal, P.; Varju, J.; Hejduk, M.; Korolov, I.; Roučka, Š.; Kokoouline, V.

    2010-09-01

    Measurements of recombination rate coefficients of binary and ternary recombination of ? and ? ions with electrons in a low temperature plasma are described. The experiments were carried out in the afterglow plasma in helium with a small admixture of Ar and parent gas (H2 or D2). For both ions a linear increase of measured apparent binary recombination rate coefficients (αeff) with increasing helium density was observed: αeff = αBIN + K He[He]. From the measured dependencies, we have obtained for both ions the binary (αBIN) and the ternary (K He) rate coefficients and their temperature dependence. For the description of observed ternary recombination a mechanism with two subsequent rate determining steps is proposed. In the first step, in ? + e- (or ? + e-) collision, a rotationally excited long-lived Rydberg molecule ? (or ? ) is formed. In the following step ? (or ? ) collides with a He atom of the buffer gas and this collision prevents autoionization of ? (or ? ). Lifetimes of the formed ? (or ? ) and corresponding ternary recombination rate coefficients have been calculated. The theoretical and measured binary and ternary recombination rate coefficients obtained for ? and ? ions are in good agreement.

  6. On the nature of photo charge carriers in ice

    Science.gov (United States)

    Petrenko, V. F.; Khusnatdinov, N. N.

    1994-06-01

    A method of photoelectromotive force (PEMF) was developed to find the charge sign, mobility, and lifetime of photo charge carriers in ice generated by photons with energy hν≳6.5 eV. It was determined that the most mobile photo charge carriers are negative ones, with mobility μ increasing from 2×10-3 cm2/V s at T=-10 °C to 4×10-2 cm2/V s at T=-30 °C, and with their lifetime decreasing from 30 to 10 s in the same temperature range. Activation energies of the mobility and the lifetime are Eμ=-0.77 eV and Eτ=0.32 eV, respectively. In addition to the negative photo charge carriers positive ones arise with mobility μ=2.3×10-4 cm2/V s and lifetime τ=26 min at T=-15 °C. We suggest that the negative photo charge carriers in ice are mobile complexes of an electron, vacancy and D-defect (e-+V+D). To take into account a specific mechanism of charge transport in ice, configurational vector Ω, and the generation of complexes (e-+V+D), a reaction of ``autoionization'' was modified for ice, 2H2O+hν→H3O++OH•int(e-+V+D).

  7. Helium in chirped laser fields as a time-asymmetric atomic switch

    Science.gov (United States)

    Kaprálová-Žánská, Petra Ruth; Moiseyev, Nimrod

    2014-07-01

    Tuning the laser parameters exceptional points in the spectrum of the dressed laser helium atom are obtained. The weak linearly polarized laser couples the ground state and the doubly excited P-states of helium. We show here that for specific chirped laser pulses that encircle an exceptional point one can get the time-asymmetric phenomenon, where for a negative chirped laser pulse the ground state is transformed into the doubly excited auto-ionization state, while for a positive chirped laser pulse the resonance state is not populated and the neutral helium atoms remains in the ground state as the laser pulse is turned off. Moreover, we show that the results are very sensitive to the closed contour we choose. This time-asymmetric state exchange phenomenon can be considered as a time-asymmetric atomic switch. The optimal time-asymmetric switch is obtained when the closed loop that encircles the exceptional point is large, while for the smallest loops, the time-asymmetric phenomenon does not take place. A systematic way for studying the effect of the chosen closed contour that encircles the exceptional point on the time-asymmetric phenomenon is proposed.

  8. Positronic complexes with unnatural parity

    International Nuclear Information System (INIS)

    Bromley, M. W. J.; Mitroy, J.; Varga, K.

    2007-01-01

    The structure of the unnatural parity states of PsH, LiPs, NaPs, and KPs are investigated with the configuration interaction and stochastic variational methods. The binding energies (in hartree) are found to be 8.17x10 -4 , 4.42x10 -4 , 15.14x10 -4 , and 21.80x10 -4 , respectively. These states are constructed by first coupling the two electrons into a configuration which is predominantly 3 P e , and then adding a p-wave positron. All the active particles are in states in which the relative angular momentum between any pair of particles is at least L=1. The LiPs state is Borromean since there are no three-body bound subsystems (of the correct symmetry) of the (Li + , e - , e - , e + ) particles that make up the system. The dominant decay mode of these states will be radiative decay into a configuration that autoionizes or undergoes positron annihilation

  9. Absolute measurements of chlorine Cl+ cation single photoionization cross section

    International Nuclear Information System (INIS)

    Hernández, E.M.; Juárez, A.M.; Kilcoyne, A.L.D.; Aguilar, A.; Hernández, L.; Antillón, A.; Macaluso, D.; Morales-Mori, A.; González-Magaña, O.; Hanstorp, D.; Covington, A.M.; Davis, V.; Calabrese, D.; Hinojosa, G.

    2015-01-01

    The photoionization of Cl + leading to Cl 2+ was measured in the photon energy range of 19.5–28.0 eV. A spectrum with a photon energy resolution of 15 meV normalized to absolute cross-section measurements is presented. The measurements were carried out by merging a Cl + ion beam with a photon beam of highly monochromatic synchrotron radiation at the Advanced Light Source at Lawrence Berkeley National Laboratory. The measured photoionization of Cl + consists of several autoionization resonances surperimposed on the direct photoionization signal. Most of the prominent resonances are assigned to members of Rydberg series originating from the singlet ground state and from metastable triplet levels within the ground-state configuration of Cl + . The direct ionization cross section is no larger than 12 Mb. - Highlights: • The single photoionization absolute cross section of Cl + ion was measured. • Numerous resonances were identified as belonging to Rydberg series. • A large population of the metastable Cl + ( 1 D 2 ) was identified. • Identified resulting Cl 2+ state terms correspond to 2 D 5/2 and 2 D 3/2

  10. Postcollision interactions in the Auger decay of the Ar L-shell

    Energy Technology Data Exchange (ETDEWEB)

    Samson, J.A.R.; Stolte, W.C.; He, Z.X. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The photoionization cross sections for Ar{sup +} through Ar{sup 4+}, produced by the Auger decay of an inner shell 2p hole, have been measured between 242 eV and 253 eV on beamline 9.0.1 and 6.3.2. In this study the authors are interested in near threshold phenomenon involving postcollision interactions (PCI), which are related to the Auger decay of a vacancy in the Ar L-shell. During an Auger decay a postcollision interaction can occur causing the out-going photoelectron to be retarded thus losing a certain amount of energy. If the retardation is sufficiently large the photoelectron will not escape. This result produces a singly charged ion, which normally would not be present. Such evidence of electron capture by the PCI effect was first shown clearly by Eberhardt et al. and, with higher resolution, in the present work. However, capture of the photoelectron is expected to be 100% exactly at the L{sub 2,3} thresholds. Thus, from the authors results they would have expected the Ar{sup 2+} signal to be zero at threshold, but it was not? The authors can explain this anomoly on the basis that during the Auger decay the photoelectrons are captured into high lying excited states of Ar{sup +}, which subsequently decay through autoionization yielding Ar{sup 2+}. Future work in this area will seek experimental evidence to verify this prediction.

  11. Polarization effects in the ionization cross section for collisions of Ne/(2p)/sup 5/(3p); J = 3/ with Ar: A sensitive probe for ''locking'' phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Driessen, J.P.J.; van de Weijer, F.J.M.; Zonneveld, M.J.; Somers, L.M.T.; Janssens, M.F.M.; Beijerinck, H.C.W.; Verhaar, B.J.

    1989-05-15

    At a collision energy E = 0.1 eV we see a large polarization effect Q/sub ion//sup *//sup M//sup >//sup j/* = 0,1$/Q/sub ion//sup M//sup >//sup j/* = 3$ = 2.5, decreasing to 1.4 for Egreater than or equal to1 eV. A two-state basis is used for the autoionization width of the ..pi.. and sigma orientations of the (2p)/sup -1/ core hole, resulting in a preference for the ..cap omega.. = 0,1 molecular states as seen at 0.1 eV. The energy dependence is due to the decrease of ''locking'' of J to the internuclear axis with increasing angular velocity phi-dot, leading to the semiclassical criterion ..omega../sub prec/ = 4phi-dot for the transition from a space-fixed to a body-fixed description of J.

  12. Threshold photoelectron spectroscopy of acetaldehyde and acrolein

    International Nuclear Information System (INIS)

    Yencha, Andrew J.; Siggel-King, Michele R.F.; King, George C.; Malins, Andrew E.R.; Eypper, Marie

    2013-01-01

    Highlights: •High-resolution threshold photoelectron spectrum of acetaldehyde. •High-resolution threshold photoelectron spectrum of acrolein. •High-resolution total photoion yield spectrum of acetaldehyde. •High-resolution total photoion yield spectrum of acrolein. •Determination of vertical ionization potentials in acetaldehyde and acrolein. -- Abstract: High-resolution (6 meV and 12 meV) threshold photoelectron (TPE) spectra of acetaldehyde and acrolein (2-propenal) have been recorded over the valence binding energy region 10–20 eV, employing synchrotron radiation and a penetrating-field electron spectrometer. These TPE spectra are presented here for the first time. All of the band structures observed in the TPE spectra replicate those found in their conventional HeI photoelectron (PE) spectra. However, the relative band intensities are found to be dramatically different in the two types of spectra that are attributed to the different dominant operative formation mechanisms. In addition, some band shapes and their vertical ionization potentials are found to differ in the two types of spectra that are associated with the autoionization of Rydberg states in the two molecules

  13. Angle-resolved photoelectron cross section of CF4

    International Nuclear Information System (INIS)

    Carlson, T.A.; Fahlman, A.; Svensson, W.A.; Krause, M.O.; Whitley, T.A.; Grimm, F.A.; Piancastelli, M.N.; Taylor, J.W.

    1984-01-01

    Partial photoelectron cross sections sigma and angular distribution parameters β were obtained for the first five valence orbitals in CF 4 : 1t 1 , 4t 2 , 1e, 3t 2 , and 4a 1 , as a function of photon energy from 17 to 70 eV. These data were taken with the aid of angle-resolved photoelectron spectroscopy and synchrotron radiation. The results were compared with earlier data on CCl 4 . Substantial differences were found. These are explained partly in terms of the absence of a Cooper minimum with a fluorine compound as opposed to the presence of a Cooper minimum with chlorine compounds and partly in terms of the position of shape resonances. Data on CF 4 were also compared with recent calculations of Stephens et al., who used the multiple-scattering Xα method. Structure in the photoelectron spectrum of CF 4 lying on the low energy side of the third band was identified as due to autoionization and evidence is given as to its specific nature

  14. Studying effects of non-equilibrium radiative transfer via HPC

    Energy Technology Data Exchange (ETDEWEB)

    Holladay, Daniel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2018-01-24

    This report presents slides on Ph.D. Research Goals; Local Thermodynamic Equilibrium (LTE) Implications; Calculating an Opacity; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Collisional Radiative Modeling; Radiative and Collisional Excitation; Photo and Electron Impact Ionization; Autoionization; The Rate Matrix; Example: Total Photoionization rate; The Rate Coefficients; inlinlte version 1.1; inlinlte: Verification; New capabilities: Rate Matrix – Flexibility; Memory Option Comparison; Improvements over previous DCA solver; Inter- and intra-node load balancing; Load Balance – Full Picture; Load Balance – Full Picture; Load Balance – Internode; Load Balance – Scaling; Description; Performance; xRAGE Simulation; Post-process @ 2hr; Post-process @ 4hr; Post-process @ 8hr; Takeaways; Performance for 1 realization; Motivation for QOI; Multigroup Er; Transport and NLTE large effects (1mm, 1keV); Transport large effect, NLTE lesser (1mm, 750eV); Blastwave Diagnostici – Description & Performance; Temperature Comparison; NLTE has effect on dynamics at wall; NLTE has lesser effect in the foam; Global Takeaways; The end.

  15. Collective effects in isolated atoms (many-body aspects of photoionization process)

    International Nuclear Information System (INIS)

    Amusia, M.Y.

    1983-01-01

    This chapter examines outer and intermediate many-electron shells and demonstrates that photoionization is of collective nature because in the atomic reaction to the external electromagnetic field at least all electrons of the ionized subshell take part. Performs the calculation of complex atom photoionization using random phase approximation with exchange (RPAE). Explains that in RPAE the ionization amplitude is presented as a sum of two terms, describing the direct knock-out and the induced one which is connected with a variation of the self-consistent field, caused by polarization of atomic shells under the action of the external field. Discusses collective effects in outer shells; deviation from RPAE prediction in outer shells; excitations ''two electrons-two holes'' and autoionizing states; collective effects in inner shells; and bremsstrahlung. Observes a large number of many-particle effects which manifest themselves practically in all atomic processes. Finds that by correcting and improving the one-electron approximation it becomes possible even in its frame to include much of what seems to be many-electron corrections

  16. Absolute spectroscopy of activated ionic crystals

    International Nuclear Information System (INIS)

    Kuketaev, T.A.

    1999-01-01

    Researches on potassium chlorides activated by one-valency ions of copper and silver are carried out. It was shown, that electron recombination photoluminescence is brought about by photoexcitation. It was established, that impurities excitation de-locates in the result of ionization. The particular mechanism of activator's ions ionization is defining by temperature dependence of recombination luminescence. In case of autoionization the luminescence yield does not depends from temperature. During excitation of KCl-Cu, NaCl-Ag, KCl-Ag crystals by photons with energies of 6.1, 5.9 and 6.3 eV, relatively, the recombination luminescence light sum increase. That is explained as direct manifestation of thermal ionization of these excitations, which freeze under lowered irradiation temperature. Experimental data evident that excited centers ionization takes place after equilibrium distribution of centers setting by oscillation levels of this electron state. Therefore energy of thermal ionization of exited center corresponds to energy gap of excited impurity center relaxation equation with bottom of conductivity zone. After definition of relaxation excited electron state of impurity ions relatively conductivity bottom zone a possibility for evaluation of activator's levels position with precision to ground state energy relaxation opens. For potassium chlorides activated by copper and silver ions the assessment shows that ground levels of impurity ions are situating within zone of forbidden energies on 2-2.6 eV higher than ceiling of valency zone

  17. Investigation by high resolution electron spectroscopy of the helium-like 3lnl' Rydberg series in double capture processes at low collision velocity: auto transfer to Rydberg states and electron stabilization

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Gonzalez, A.; Benhenni, M. (Toulouse-3 Univ., 31 (France)); Bachau, H.; Sanchez, I. (Bordeaux-1 Univ., 33 - Talence (France). Lab. des Collisions Atomiques)

    1994-09-28

    A high resolution electron spectrometry of the (3lnl') Ryberg series populated in N[sup 7+] + He and Ne[sup 10+] + He collisions at 10 q keV, 10[sup o] allows us to observe, for the first time by this method, two post-collisional effects. First, it is found with nitrogen ions that, when n increases from n = 4 to 9, the L-distribution peaks more and more on the high angular momentum states. This is qualitatively understood as a Stark deformation of the Rydberg orbit by the Coulomb field of the receding ion. Also, in the n range where the double capture process populates symmetrical 4l4l' states (n>9), an enhancement of the intensities of the 3lnl' Rydberg lines is observed for both collisonal systems. This is thought to be a signature of the so-called auto transfer to Rydberg states effect. The transfer of population from the 3l4l' to the 3lnl' states is found to be favoured against a direct autoionization of these 4l4l' states into the n = 2 continuum. These experimental findings together with preliminary spectroscopic calculations concerning the configuration interaction of the Ne[sup 8+] (4l4l') states with the Ne[sup 8+](3lnl') Rydberg series are also discussed within the context of the electron stabilization which follows a double capture. (Author).

  18. An accurate test of calculated positions and lifetimes for Ne{sup 6+}(1s{sup 2}3lnl{sup '}) {sup 1}L states (n=3 and 4) using a high-resolution electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A. E-mail: abm@irsamc.ups-tlse.fr; Moretto-Capelle, P.; Bordenave-Montesquieu, D

    2003-05-01

    An accurate test of available calculations for the autoionizing doubly excited states belonging to the Be-like 1s{sup 2}3lnl{sup '} Rydberg series of neon (positions and lifetimes) is presented in this short communication. These theoretical data are used to calculate electron line shapes which are compared, through a fitting procedure, with a high-resolution electron spectrum measured in Ne{sup 8+}(1s{sup 2}) + He collisional system, at 80 keV collision energy and 13.1 deg. observation angle. Present tests concern the n=3 and n=4 singlet states. It is found that some of these calculations suffer from large discrepancies with experiment and do not allow a description of the electron spectrum. A quantitative comparison of measured and calculated post-collisional Coulomb interaction-shifted line positions is also given and briefly discussed; for one theoretical data set, the agreement with experiment is found to be generally within {+-}50 meV; in contrast agreement with other data often considerably scatters within {+-}500 meV and sometimes more.

  19. A ballistic transport model for electronic excitation following particle impact

    Science.gov (United States)

    Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

    2018-01-01

    We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

  20. In-Source Laser Resonance Ionization at ISOL Facilities

    CERN Document Server

    Marsh, Bruce; Feddosseev, Valentin

    Resonance ionization laser ion source development has been carried out at two radioactive ion beam facilities: ISOLDE (CERN, Switzerland) and the IGISOL facility (Jyvaskyla, Finland). The scope of the Resonance Ionization Laser Ion Source has been extended to 27 elements with the development of new three-step ionization schemes for Sb, Sc, Dy, Y and Au. The efficiencies were determined to be in the range of 2 - 20 %. Additionally, a new two-step ionization scheme has been developed for bismuth in an off-line atomic beam unit. The scheme relies on ionization via a strong and broad auto-ionizing resonance at an energy of 63196.79 cm$^{−1}$. This scheme may offer an improvement over the existing RILIS efficiency and will be more convenient for use during resonance ionization spectroscopy of Bi isotopes. The RILIS can be used as a spectroscopic tool to probe features such as the hyperfine structures and the isotope-shifts of radioisotopes with low production rates. By coupling a laser scanning process that dire...

  1. Advances in NLTE modeling for integrated simulations

    Science.gov (United States)

    Scott, H. A.; Hansen, S. B.

    2010-01-01

    The last few years have seen significant progress in constructing the atomic models required for non-local thermodynamic equilibrium (NLTE) simulations. Along with this has come an increased understanding of the requirements for accurately modeling the ionization balance, energy content and radiative properties of different atomic species for a wide range of densities and temperatures. Much of this progress is the result of a series of workshops dedicated to comparing the results from different codes and computational approaches applied to a series of test problems. The results of these workshops emphasized the importance of atomic model completeness, especially in doubly-excited states and autoionization transitions, to calculating ionization balance, and the importance of accurate, detailed atomic data to producing reliable spectra. We describe a simple screened-hydrogenic model that calculates NLTE ionization balance with sufficient accuracy, at a low enough computational cost for routine use in radiation-hydrodynamics codes. The model incorporates term splitting, Δ n = 0 transitions, and approximate UTA widths for spectral calculations, with results comparable to those of much more detailed codes. Simulations done with this model have been increasingly successful at matching experimental data for laser-driven systems and hohlraums. Accurate and efficient atomic models are just one requirement for integrated NLTE simulations. Coupling the atomic kinetics to hydrodynamics and radiation transport constrains both discretizations and algorithms to retain energy conservation, accuracy and stability. In particular, the strong coupling between radiation and populations can require either very short time steps or significantly modified radiation transport algorithms to account for NLTE material response. Considerations such as these continue to provide challenges for NLTE simulations.

  2. Advances in NLTE Modeling for Integrated Simulations

    International Nuclear Information System (INIS)

    Scott, H.A.; Hansen, S.B.

    2009-01-01

    The last few years have seen significant progress in constructing the atomic models required for non-local thermodynamic equilibrium (NLTE) simulations. Along with this has come an increased understanding of the requirements for accurately modeling the ionization balance, energy content and radiative properties of different elements for a wide range of densities and temperatures. Much of this progress is the result of a series of workshops dedicated to comparing the results from different codes and computational approaches applied to a series of test problems. The results of these workshops emphasized the importance of atomic model completeness, especially in doubly excited states and autoionization transitions, to calculating ionization balance, and the importance of accurate, detailed atomic data to producing reliable spectra. We describe a simple screened-hydrogenic model that calculates NLTE ionization balance with surprising accuracy, at a low enough computational cost for routine use in radiation-hydrodynamics codes. The model incorporates term splitting, Δn = 0 transitions, and approximate UTA widths for spectral calculations, with results comparable to those of much more detailed codes. Simulations done with this model have been increasingly successful at matching experimental data for laser-driven systems and hohlraums. Accurate and efficient atomic models are just one requirement for integrated NLTE simulations. Coupling the atomic kinetics to hydrodynamics and radiation transport constrains both discretizations and algorithms to retain energy conservation, accuracy and stability. In particular, the strong coupling between radiation and populations can require either very short timesteps or significantly modified radiation transport algorithms to account for NLTE material response. Considerations such as these continue to provide challenges for NLTE simulations.

  3. Exotic helium molecules; Molecules exotiques d'helium

    Energy Technology Data Exchange (ETDEWEB)

    Portier, M

    2007-12-15

    We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

  4. The band 12 issue in the electron momentum spectra of norbornane: a comparison with additional Green's Function calculations and ultraviolet photoemission measurements.

    Science.gov (United States)

    Knippenberg, S; Deleuze, M S; Cleij, T J; François, J-P; Cederbaum, L S; Eland, J H D

    2005-05-19

    In continuation of a recent study of the electronic structure of norbornane [J. Chem. Phys., 2004, 121, 10525] by means of electron momentum spectroscopy (EMS), we present Green's Function calculations of the ionization spectrum of this compound at the ADC(3) level using basis sets of varying quality, along with accurate evaluations at the CCSD(T) level of the vertical (26.5 eV) and adiabatic (22.1 eV) double ionization thresholds under C(2v) symmetry. The obtained results are compared with newly recorded ultraviolet photoemission spectra (UPS), up to binding energies of 40 eV. The theoretical predictions are entirely consistent with experiment and indicate that, in a vertical depiction of ionization, shake-up states at binding energies larger than approximately 26.5 eV tend to decay via emission of a second electron in the continuum. A band of s-type symmetry that has been previously seen at approximately 25 eV in the electron impact ionization spectra of norbornane is entirely missing in the UPS measurements and theoretical ADC(3) spectra. With regard to these results and to the time scales characterizing electron-electron interactions in EMS (10(-17) s) as compared with that (10(-13) s) of photon-electron interactions in UPS, and considering the p-type symmetry of the electron momentum distributions for the nearest 1b(1) and 1b(2) orbitals, this additional band can certainly not be due to adiabatic double ionization processes starting from the ground electronic state of norbornane, or to exceptionally strong vibronic coupling interactions between cationic states derived from ionization of the latter orbitals. It is therefore tentatively ascribed to autoionization processes via electronically excited and possibly dissociating states.

  5. A comprehensive set of UV and x-ray radiative transition rates for Fe XVI

    International Nuclear Information System (INIS)

    Nahar, S N; Sur, C; Pradhan, A K; Eissner, W

    2009-01-01

    Sodium-like Fe XVI is observed in collisionally ionized plasmas such as stellar coronae and coronal line regions of active galactic nuclei including black hole-accretion disc environments. Given its recombination edge from neon-like Fe XVII at ∼/!25 A, the Fe XVI bound-bound transitions lie in the soft x-ray and EUV (extreme ultraviolet) range. We present a comprehensive set of theoretical transition rates for radiative dipole allowed E1 transitions including fine structure for levels with nl(SLJ)≤10, l≤9 using the relativistic Breit-Pauli R-matrix (BPRM) method. In addition, forbidden transitions of electric quadrupole (E2), electric octupole (E3), magnetic dipole (M1) and magnetic quadrupole (M2) type are presented for levels up to 5g(SLJ) from relativistic atomic structure calculations in the Breit-Pauli approximation using code SUPERSTRUCTURE. Some of the computed levels are autoionizing, and oscillator strengths among those are also provided. BPRM results have been benchmarked with the relativistic coupled cluster method and the atomic structure Dirac-Fock code GRASP. Levels computed with the electron collision BPRM codes in bound state mode were identified with a procedure based on the analysis of quantum defects and asymptotic wavefunctions. The total number of Fe XVI levels considered is 96, with 822 E1 transitions. Tabulated values are presented for the oscillator strengths f, line strengths S and Einstein radiative decay rates A. This extensive dataset should enable spectral modelings up to highly excited levels, including recombination-cascade matrices.

  6. Ionization photophysics and spectroscopy of cyanoacetylene

    International Nuclear Information System (INIS)

    Leach, Sydney; Champion, Norbert; Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François; Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin

    2014-01-01

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC 3 N involves new aspects and new assignments of the vibrational components to excitation of the A 2 Σ + and B 2 Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B 2 Π state of HC 3 N + . A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C 2 Σ + state of HC 3 N + at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised

  7. Ionization photophysics and spectroscopy of dicyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Schwell, Martin, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire [LISA UMR CNRS 7583, Université Paris-Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France); Garcia, Gustavo A.; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Guillemin, Jean-Claude [Institut des Sciences Chimiques de Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

    2013-11-14

    Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

  8. Ionization photophysics and spectroscopy of cyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192, Gif-sur-Yvette Cedex (France); Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin [LISA UMR CNRS 7583, Université Paris Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France)

    2014-05-07

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  9. Theoretical photoionization spectra in the UV photon energy range for a Mg-like Al{sup +} ion

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dae-Soung [e-Business Department, Kyonggi Institute of Technology, Siheung, Jungwang-Dong 2121-3, Kyonggi-Do 429-792 (Korea, Republic of); Kim, Young Soon [Department of Physics, Myongji University, San 38-2 Namdong, Cheoin-gu, Yongin, Kyonggi-Do 449-728 (Korea, Republic of)], E-mail: dskim@kinst.ac.kr

    2008-08-28

    In the present work, we report the photoionization cross sections of the Al{sup +} ion calculated for the photon energy range 20-26 eV and 30-50 eV. We have expanded our previous calculation (2007 J. Phys. Soc. Japan 76 014302) with an optimized admixture of the initial ground state 3s{sup 21}S and exited states 3s3p{sup 1,3}P, 3s3d{sup 1,3}D and 3s4s{sup 1,3}S, and obtained significantly improved predictions for the main background and autoionizing resonance structures of the reported experimental spectra. The absolute measurements of the photoionization cross sections of the Al{sup +} ion in these energy ranges have been performed by West et al (2001 Phys. Rev. A 63 052719), and they reported that the prominent peaks around 21 eV were attributed to the effects of the significant influence of the small fraction of the fourth-order radiation with energies around 84 eV from the synchrotron source. In our previous work, the main shape for these cross sections was calculated assuming an admixture of initial 3s{sup 21}S and 3s3p{sup 3}P states, only with a rough overall estimate for the experimental spectra in the photon energy range 20-26 eV, and without these peaks around 21 eV. The report of the experimental assignment attributes these peaks to the excitation of a 2p electron from the core. However, our present results with the new admixture reveal similar peaks without considering the possibility of the core excitation.

  10. Advances Toward Inner-Shell Photo-Ionization X-Ray Lasing at 45 (Angstrom)

    International Nuclear Information System (INIS)

    Moon, S. J.; Weber, F. A.; Celliers, P. M.; Eder, D. C.

    2002-01-01

    The inner-shell photo-ionization (ISPI) scheme requires photon energies at least high enough to photo-ionize the K-shell. ∼286 eV, in the case of carbon. As a consequence of the higher cross-section, the inner-shell are selectively knocked out, leaving a hole state 1s2s 2 2p 2 in the singly charged carbon ion. This generates a population inversion to the radiatively connected state 1s 2 2s 2 2p in C+, leading to gain on the 1s-2p transition at 45 (angstrom). The resonant character of the lasing transition in the single ionization state intrinsically allows much higher quantum efficiency compared to other schemes. Competing processes that deplete the population inversion include auto-ionization, Auger decay, and in particular collisional ionization of the outer-shell electrons by electrons generated during photo-ionization. These competing processes rapidly quench the gain. Consequently, the pump method must be capable of populating the inversion at a rate faster than the competing processes. This can be achieved by an ultra-fast, high intensity laser that is able to generate an ultra-fast, bright x-ray source. With current advances in the development of high-power, ultra-short pulse lasers it is possible to realize fast x-ray sources based that can deliver powerful pulses of light in the multiple hundred terawatt regime and beyond. They will discuss in greater detail concept, target design and a series of x-ray spectroscopy investigations they have conducted in order to optimize the absorber/x-ray converter--filter package

  11. Advances toward inner-shell photo-ionization x-ray lasing at 45 A

    International Nuclear Information System (INIS)

    Moon, Stephen J.; Weber, Franz A.; Celliers, Peter M.; Eder, David C.

    2002-01-01

    The inner-shell photo-ionization (ISPI) scheme requires photon energies at least high enough to photo-ionize the K-shell, ∼286 eV, in the case of carbon. As a consequence of the higher cross-section, the inner-shell are 'selectively' knocked out, leaving a hole state 1s2s22p2 in the singly charged carbon ion. This generates a population inversion to the radiatively connected state 1s22s22p in C+, leading to gain on the 1s-2p transition at 45 A. The resonant character of the lasing transition in the single ionization state intrinsically allows much higher quantum efficiency compared to other schemes. Competing processes that deplete the population inversion include auto-ionization, Auger decay, and in particular collisional ionization of the outer-shell electrons by electrons generated during photo-ionization. These competing processes rapidly quench the gain. Consequently, the pump method must be capable of populating the inversion at a rate faster than the competing processes. This can be achieved by an ultra-fast, high intensity laser that is able to generate an ultra-fast, bright x-ray source. With current advances in the development of high-power, ultra-short pulse lasers it is possible to realize fast x-ray sources based that can deliver powerful pulses of light in the multiple hundred terawatt regime and beyond. We will discuss in greater detail concept, target design and a series of x-ray spectroscopy investigations we have conducted in order to optimize the absorber/x-ray converter - filter package

  12. Fluctuations in Supercooled Fluids and Ionic Solutions

    Science.gov (United States)

    Thorpe, Dayton Gray

    An overview of five studies is presented in two parts. The first part presents two studies of supercooled fluids. The second part presents three studies of water and aqueous solutions. Each study seeks a minimal model of a condensed matter system. In the first study, kinetically constrained models (KCM's) are compared to alternative theories of the glass transition in high dimensions. Dimensionality is used as a parameter to tune the connectivity of a lattice, where a higher dimensional model has more interactions between neighboring sites. This study finds that KCM's outperform alternative theories in high dimensions. The second study explores the possibility that bacteria have evolved to exploit the glass transition to enter a dormant state when environmental conditions are unfavorable. Although the available evidence shows that the bacterial cytoplasm does not meet the strict definition of a fragile glass former, much of its behavior is similar to and can be described using close analogies with the glass transition. In the second part, the third study describes the molecular mechanisms that gives rise to large electric field fluctuations, which in turn cause autoionization and ion dissociation. The fourth study analyzes several candidate order parameters as the basis for a Gaussian field theory of ion solvation. Finally, the fifth study discusses the most popular current explanation for observed charge asymmetry at liquid-vapor interfaces. This explanation, based on linear response of the surface polarization to the presence of an ion, is incorrect. Instead, the surface polarization responds non-linearly to the presence of an ion. Incorporating these non-linear fluctuations is essential to predict solvation free energies.

  13. Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

    International Nuclear Information System (INIS)

    Kamp, L.W.

    1976-02-01

    Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of the range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0--B5, luminosity classes III, IV, and V

  14. Theoretical photoionization spectra in the UV photon energy range for a Mg-like Al+ ion

    International Nuclear Information System (INIS)

    Kim, Dae-Soung; Kim, Young Soon

    2008-01-01

    In the present work, we report the photoionization cross sections of the Al + ion calculated for the photon energy range 20-26 eV and 30-50 eV. We have expanded our previous calculation (2007 J. Phys. Soc. Japan 76 014302) with an optimized admixture of the initial ground state 3s 21 S and exited states 3s3p 1,3 P, 3s3d 1,3 D and 3s4s 1,3 S, and obtained significantly improved predictions for the main background and autoionizing resonance structures of the reported experimental spectra. The absolute measurements of the photoionization cross sections of the Al + ion in these energy ranges have been performed by West et al (2001 Phys. Rev. A 63 052719), and they reported that the prominent peaks around 21 eV were attributed to the effects of the significant influence of the small fraction of the fourth-order radiation with energies around 84 eV from the synchrotron source. In our previous work, the main shape for these cross sections was calculated assuming an admixture of initial 3s 21 S and 3s3p 3 P states, only with a rough overall estimate for the experimental spectra in the photon energy range 20-26 eV, and without these peaks around 21 eV. The report of the experimental assignment attributes these peaks to the excitation of a 2p electron from the core. However, our present results with the new admixture reveal similar peaks without considering the possibility of the core excitation

  15. Excitation and ionization of highly charged ions by electron impact: Progress report for period May 1, 1986-April 30, 1987

    International Nuclear Information System (INIS)

    Sampson, D.H.

    1987-01-01

    (1) Cross sections and rate coefficients with inclusion of mixing effects have been obtained for innershell ionization of Na-like ions. This is an important mechanism for populating the excited levels of Neon-like ions and the importance increases with Z. (2) Cross sections and rate coefficients with inclusion of mixing effects have been obtained for innershell ionization of Li-like ions. This appears to be an important mechanism for populating the excited levels of He-like ions and its importance also increases with Z. (3) The collision strengths have been calculated for all 1171 innershell excitation transitions from the five lower levels of the form 1s 2 2s 2 2p 6 3l 2 L/sub J/ to the doubly excited upper levels of kinds 1s 2 2s 2 2p 5 (3l'3l''/sup 2S''+1/L''/sub J'/ and 1s 2 2s2p 6 (3l'3l''/sup 2S''+1/L'')/sup 2S'+1/L'/sub J'/ in 22 Na-like ions. These upper levels can radiatively decay, which produces satellite lines to those due to n = 3 to n = 2 transitions in neon-like ions, or they can autoionize, which populates the 1s 2 2s 2 2p 6 1 S 0 ground level of neon-like ions. Considerable progress has also been made on our new quasirelativistic code development. After checking the accuracy for hydrogenic ions with Z values up to 90, we have now obtained preliminary quasirelativistic results for both structure and collision strengths for neon-like ions. These generally agree well with fully relativistic calculations. 41 refs

  16. Development of a method for the study of H{sub 2} gas emission in sealed compartments containing canister copper immersed in O{sub 2}-free water

    Energy Technology Data Exchange (ETDEWEB)

    Bengtsson, Andreas; Chukharkina, Alexandra; Eriksson, Lena; Hallbeck, Bjoern; Hallbeck, Lotta; Johansson, Jessica; Johansson, Linda; Pedersen, Karsten [Microbial Analytics Sweden AB, Moelnlycke (Sweden)

    2013-06-15

    Current models of copper corrosion indicate that copper is not subject to corrosion by water in itself, but that additional components, such as O{sub 2}, chloride or sulphide are needed to initiate a corrosive process. Of late however, a number of reports have suggested that copper may be susceptible to water-induced corrosion in the absence of external constituents affecting the process. The process has been proposed to rely the auto-ionization driven presence of the hydroxide ions in pure water, and to result in the development of atomic hydrogen (H), with subsequent release of H{sub 2} gas. A suggested equilibrium is reached at a partial pressure of H{sub 2} of about 1 mbar (0.1 kPa) in 73 deg C, and the corrosion reaction is proposed to be rate-limited by the supply of hydroxide ions from the water, a process being slower than proposed formation of water from a H{sub 2}-O{sub 2} reaction. In consequence, the presence of O{sub 2} in the system would result in no detectable release of H{sub 2} until all O{sub 2} was consumed, while the absence of O{sub 2} would lead to water-driven corrosion of copper proceeding until the H{sub 2} equilibrium is reached, at a partial H{sub 2} pressure of about 1 mbar. The proposed mechanism presents a novel aspect on copper corrosion processes. By extension, the suggested corrosion process may have implications for proposed strategies for long-term storage of spent nuclear fuel waste (SNF), which in part rely on the long-term (>105 years) integrity of copper canisters stored in anoxic water inundated environments (SKB 2010)

  17. Photoionizing spectra of samarium near the ionization limit

    International Nuclear Information System (INIS)

    Hu, S.; Zhang, S.; Qiu, J.; Liang, Y.; Chen, X.

    1988-01-01

    The authors report the observation of photoionizing spectra of Sm near the ionization limit using the multistep excitation approach. More than seventy new energy levels of Sm have been measured, which are located in the 45321.8-45802.9-cm -1 energy interval. The Sm atoms are selectively excited by two dye lasers pumped by the harmonics of a Nd:YAG laser. The two laser beams are generally collinear and intersect the Sm beam at a right angle. The first dye laser, at wavelength λ 1 =6807.5A, is operated with dye LDS696 and is used to excite the Sm atoms in the atomic beam from the thermally populated state 4f 6 6s 2 7 F 2 to 4f 6 6s7s 9 F 4 with two photons. The second dye laser operated with the dye DCM is used to excite Sm atoms from 4f 6 6s7s 7 F 4 to high excited states with J=3,4,5. The wavelength range of λ 2 is from 6610 to 6400 A. The λ 2 is delayed 10 ns behind λ 1 . The Sm atoms are photoionized or autoionized by λ 1 . The photoionizing signals are detected by an electron multiplier, the output of which is fed into a boxcar averager and recorded on an x-y recorder. The wavelength is determined by using the interference spectra of a Fabry-Perot etalon as a wavelength scale, and the absolute calibration is achieved with the optogalvanic spectra of a Ne atom

  18. High-resolution profiles of the diffuse interstellar feature at 5780 A

    International Nuclear Information System (INIS)

    Savage, B.D.

    1976-01-01

    High-resolution profiles (Δlambdaapprox. =0.2 A) were obtained of the diffuse interstellar feature at 5780 A in 18 heavily reddened stars with the Wisconsin echelle spectrograph at the Cassegrain focus of the Mayall 4 m telescope. This feature is, in all cases, asymmetrical with its steep side being toward the blue. On attempting to match theoretical profiles to the observed lambda5780 profile in HD 183143 we find that theoretical profiles for such processes as autoionization, predissociation, or preionization do not provide acceptable fits to the observational data, while good fits can be obtained for the extinction profiles provided by small (rapprox. =750 A), cold grains containing impurities that produce narrow no-phonon absorption lines. If lambda5780 is in fact due to this latter process, then the asymmetry of the feature provides information on the sizes of interstellar grains, while the width provides information on the internal temperatures of grains. Significant differences in the feature asymmetry were noted for several stars, a result that can readily be explained as being due to small differences in the particle size in different galactic regions. Although changes in the width of the feature at 5780 A were noted, it is difficult to decide if the variations are due to cloud motions, observational errors, or changes in grain temperatures. However, it is possible that the broad weak feature superposed on lambda5780 is due to the same process that produces lambda5780 but in hot (Tapprox. =100-200 K) grains situated near the stars being observed. It is concluded that a careful study of the profiles of the narrow diffuse interstellar features may provide interesting information on the internal temperatures and geometrical characteristics of interstellar particles

  19. Investigations of the biological effects of radiation: a multi-discipline approach. Progress report, September 1, 1976--August 31, 1977

    Energy Technology Data Exchange (ETDEWEB)

    Friedell, H.L.

    1977-09-01

    The quasi-free electron attachment rate, k/sub e/, and mobility, ..mu../sub e/, were studied in non-polar solutions using pulsed conductivity techniques. Measurements of k/sub e/ of >50 nitro compounds in liquids have ..mu../sub e/ ranging from <0.1 to 100 cm/sup 2//volt sec at temperatures from -100 to +40/sup 0/C indicated electron-dipole interactions are important in liquids having ..mu../sub e/ < 1 cm/sup 2//volt sec. The Smoluchowski equation was modified to include electron-dipole interactions and calculated k/sub e/'s agreed with observations within +-20%. The cellular enhancement ratio, CER, of nine of the nitro compounds were measured and a correlation between k/sub e/ and CER was found which was used to refine a model of cellular radiosensitization involving quasi-free electrons. Diffusion-controlled k/sub e/'s were observed for several carcinogens and in reversed micellar solutions. Field-dependent k/sub e/'s were measured in liquids having ..mu../sub e/ ranging from 10/sup -4/ to 500 cm/sup 2//volt sec and were found to increase at ..mu../sub e/ < 1 and decrease at ..mu../sub e/ > 70 cm/sup 2//volt sec with increasing field. The ..mu../sub e/ of liquid C/sub 2/H/sub 6/ was measured from -40/sup 0/C through the critical temperature at fields up to 180 kV/cm and a transition from polaron to delocalized electron conduction was observed. A pico-second (ps) pulse conductivity technique was developed and hot electron and/or autoionization processes were observed in tetramethylsilane, TMS, 200 ps after the ionizing pulse. A dose, field, and polarity dependent conductivity spike having a lifetime of 100 ps was observed in TMS and is interpreted as a prebreakdown phenomenon.

  20. Donor spectroscopy at large hydrostatic pressures and transport studies in compound semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Leonardo [Univ. of California, Berkeley, CA (United States)

    1997-06-01

    In the first part of this work, the author describes studies of donors in AlSb and in GaAs at large hydrostatic pressures, two materials in which the conduction band minimum is not parabolic, but has a camel`s back shape. These donors were found to display only one or two absorption lines corresponding to ground to bound excited state transitions. It is shown that due to the non-parabolic dispersion, camel's back donors may have as few as one bound excited state and that higher excited states are auto-ionized. Thus, it is possible that transitions to these other states may be lost in the continuum. In the second part, calculations of mobilities in GaN and other group III-Nitride based structures were performed. GaN is interesting in that the carriers in nominally undoped material are thought to originate from impurities which have an ionization energy level resonant with the conduction band, rather than located in the forbidden gap. These donors have a short range potential associated with them which can be effective in scattering electrons in certain situations. It was found that effects of these resonant donors can be seen only at high doping levels in III-Nitride materials and in AlxGa1-xN alloys, where the defect level can be pushed into the forbidden gap. Calculations were also performed to find intrinsic mobility limits in AlxGa1-xN/GaN modulation doped heterostructures. Theoretical predictions show that electron mobilities in these devices are capable of rivaling those found in the best AlxGa1-xAs/GaAs heterostructures structures today. However, the currently available nitride heterostructures, while displaying mobilities superior to those in bulk material, have sheet carrier concentrations too large to display true two-dimensional electron gas behavior.

  1. Physics of correlated studies. Final report, September 1, 1990--November 30, 1993

    International Nuclear Information System (INIS)

    Greene, C.H.

    1993-01-01

    During the three year period of this grant, a major initiative was started to develop theoretical methods to treat complex open-shell atoms in a manner permitting a simple interpretation of the dynamics. This project has been far more successful than originally hoped, with accurate ground state photoionization cross sections calculated for nine different open-shell atoms in the periodic table. This work culminated in our first application to multichannel autoionizing spectra of a transition metal atom, scandium. These methods were also extended and adapted to permit a description of nonresonant two-photon processes at the perturbative level, and some nonperturbative multiphoton processes. The angular distribution of photoelectrons ejected in resonant multiphoton ionization of magnesium was also successfully calculated. We made headway toward understanding aspects of the diamagnetic quasi-Landau problem, specifically interpreting the observed simplicity of the spectrum when plotted simultaneously versus energy and field. High two-electron excitations of H - and Li - were treated using R-matrix methods, combined with a time delay analysis to quantitatively test various propensity rules proposed in the literature. These calculations also gave the first accurate description of H - experiments at Los Alamos, up to the n = 6 threshold. A new set of computer programs were developed to handle double-Rydberg ''planetary'' states of barium and strontium, incorporating long range multipole interactions explicitly. Finally, we studied triply-excited states of H -- in an attempt to clarify the question of whether such resonances exist. Each of these projects is described in greater detail below

  2. Investigations of the biological effects of radiation: a multi-discipline approach. Progress report, September 1, 1976--August 31, 1977

    International Nuclear Information System (INIS)

    Friedell, H.L.

    1977-01-01

    The quasi-free electron attachment rate, k/sub e/, and mobility, μ/sub e/, were studied in non-polar solutions using pulsed conductivity techniques. Measurements of k/sub e/ of >50 nitro compounds in liquids have μ/sub e/ ranging from 2 /volt sec at temperatures from -100 to +40 0 C indicated electron-dipole interactions are important in liquids having μ/sub e/ 2 /volt sec. The Smoluchowski equation was modified to include electron-dipole interactions and calculated k/sub e/'s agreed with observations within +-20%. The cellular enhancement ratio, CER, of nine of the nitro compounds were measured and a correlation between k/sub e/ and CER was found which was used to refine a model of cellular radiosensitization involving quasi-free electrons. Diffusion-controlled k/sub e/'s were observed for several carcinogens and in reversed micellar solutions. Field-dependent k/sub e/'s were measured in liquids having μ/sub e/ ranging from 10 -4 to 500 cm 2 /volt sec and were found to increase at μ/sub e/ 70 cm 2 /volt sec with increasing field. The μ/sub e/ of liquid C 2 H 6 was measured from -40 0 C through the critical temperature at fields up to 180 kV/cm and a transition from polaron to delocalized electron conduction was observed. A pico-second (ps) pulse conductivity technique was developed and hot electron and/or autoionization processes were observed in tetramethylsilane, TMS, 200 ps after the ionizing pulse. A dose, field, and polarity dependent conductivity spike having a lifetime of 100 ps was observed in TMS and is interpreted as a prebreakdown phenomenon

  3. Energy redistribution in the dissociation of low Rydberg states of HeH and 02

    International Nuclear Information System (INIS)

    Zande, W.J.A. van der.

    1988-01-01

    In this thesis the dissocation process is studied of the diatomic molecules, heliumhydride and molecular oxygen. In ch.'s 2-4 results on the spectroscopy and dissociative decay of the excited states of heliumhydride (HeH) are explained. The positions and dissociation pathways of the A 2 Σ + and B 2 Π states are determined and a theoretical description of the decay of these states are given. An isotope dependent dissociation behaviour of the C 2 /σ + Rydberg state is reported which explained with this theory. In ch.'s 5-7 observations are presented regarding the first Rydberg states of molecular oxygen. The spectroscopy of the (3sσ)d 1 Π g and C 3 Π g states is treated, and the stability and decay of these Rydberg states is discussed qualitatively. An experimental study is described of the (3sσ)d 1 Π g , v=4-8 states. By isotope studies and resolving rotational lines and the measurements of natural linewidths quantitative estimates have been acquired on coupling strengths, positions of repulsive valence states and perturbations reported in literature from REMPI experiments. The electronic coupling strengths between the C 3 Π g state and the 3 Π g valence state has been established. Observed spin-orbit interactions have been quantified and the dissociation of the multiplet states (C 3 Π g , ω=0-2 has been correlated with the multiplet states of the fragment O 3 P J=0-2 . The spectroscopy of the (3sσ3) Rydberg states which con- verge to and are formed in collisions with the O + 2 , a 4 Π μ ion state, is treated. The (3sσ) 5 /π μ state competition between auto-ionizations and (pre-)dissociation has been observed. 207 refs.; 36 figs.; 18 tabs

  4. Interaction between 4p photoionization and 3p resonant excitation channels of krypton

    International Nuclear Information System (INIS)

    Buhr, T.; Kover, A.; Varga, D.; Muller, A.; Ricz, S.; Justus-Liebig- Universitat Giessen, Giessen; Holste, K.; Borovik, Jr.A.A.; Bernhardt, D.; Schippers, S.

    2011-01-01

    Complete text of publication follows. The angular distribution of Kr 4p photoelectrons was measured employing a linearly polarized photon beam at energies from 205 eV to 230 eV. In this range the Kr 3p→ns/md (n,m=4,5,6, etc.) resonances can be excited. The experimental anisotropy parameters (β, γ and δ) were determined for the Kr 4p shell and its fine structure components. The measurement was carried out at beamline BW3 of the DORIS III synchrotron light source at HASYLAB (Hamburg, Germany). The ESA-22D electrostatic electron spectrometer was used to analyze the emitted electrons. The spectrometer consists of a spherical and a cylindrical mirror analyzer. The spherical mirror focuses the electrons from the scattering plane to the entrance slit of the cylindrical analyzer performing the energy analysis of the electrons. (For detailed description of an ESA- 22-type electron spectrometer see Ref. [1].) The measured dipole anisotropy parameters ? of Kr 4p photoelectrons are shown in Fig. 1 as a function of photon energy. Resonance-like structure can be seen in the photon energy dependence of the dipole parameters. This structure indicates that the channel interactions are important between the 3p resonant excitation-autoionization and 4p direct photoionization processes in krypton. The natural line width of the 3p photoelectron peaks was determined from the measured spectra and it is about 0.8 eV while the experimental width of the resonance near 220 eV photon energy (3p 1/2 -1 →5s resonant excitation) is approximately 2 eV in Fig. 1. This broadening can be explained with the strong interference between the ionization and excitation channels. As before, we conclude that the angular distribution of photoelectrons is strongly influenced by the excitation processes. Acknowledgements. The authors wish to thank the DORIS III staff for providing excellent working conditions. This work was supported by the NKTH-OTKA (Grant No. K67719), and by the European Community

  5. Defining the buffering process by a triprotic acid without relying on stewart-electroneutrality considerations

    Directory of Open Access Journals (Sweden)

    Kao Liyo

    2011-08-01

    Full Text Available Abstract Upon the addition of protons to an aqueous solution, a component of the H+ load will be bound i.e. buffered. In an aqueous solution containing a triprotic acid, H+ can be bound to three different states of the acid as well as to OH- ions that are derived from the auto-ionization of H2O. In quantifying the buffering process of a triprotic acid, one must define the partitioning of H+ among the three states of the acid and also the OH- ions in solution in order to predict the equilibrium pH value. However, previous quantitative approaches that model triprotic acid titration behaviour and used to predict the equilibrium pH rely on the mathematical convenience of electroneutrality/charge balance considerations. This fact has caused confusion in the literature, and has led to the assumption that charge balance/electroneutrality is a causal factor in modulating proton buffering (Stewart formulation. However, as we have previously shown, although charge balance can be used mathematically as a convenient tool in deriving various formulae, electroneutrality per se is not a fundamental physicochemical parameter that is mechanistically involved in the underlying buffering and proton transfer reactions. The lack of distinction between a mathematical tool, and a fundamental physicochemical parameter is in part a reason for the current debate regarding the Stewart formulation of acid-base analysis. We therefore posed the following question: Is it possible to generate an equation that defines and predicts the buffering of a triprotic acid that is based only on H+ partitioning without incorporating electroneutrality in the derivation? Towards this goal, we derived our new equation utilizing: 1 partitioning of H+ buffering; 2 conservation of mass; and 3 acid-base equilibria. In validating this model, we compared the predicted equilibrium pH with the measured pH of an aqueous solution consisting of Na2HPO4 to which HCl was added. The measured pH values

  6. Defining the buffering process by a triprotic acid without relying on Stewart-electroneutrality considerations.

    Science.gov (United States)

    Nguyen, Minhtri K; Kao, Liyo; Kurtz, Ira

    2011-08-17

    Upon the addition of protons to an aqueous solution, a component of the H+ load will be bound i.e. buffered. In an aqueous solution containing a triprotic acid, H+ can be bound to three different states of the acid as well as to OH- ions that are derived from the auto-ionization of H2O. In quantifying the buffering process of a triprotic acid, one must define the partitioning of H+ among the three states of the acid and also the OH- ions in solution in order to predict the equilibrium pH value. However, previous quantitative approaches that model triprotic acid titration behaviour and used to predict the equilibrium pH rely on the mathematical convenience of electroneutrality/charge balance considerations. This fact has caused confusion in the literature, and has led to the assumption that charge balance/electroneutrality is a causal factor in modulating proton buffering (Stewart formulation). However, as we have previously shown, although charge balance can be used mathematically as a convenient tool in deriving various formulae, electroneutrality per se is not a fundamental physicochemical parameter that is mechanistically involved in the underlying buffering and proton transfer reactions. The lack of distinction between a mathematical tool, and a fundamental physicochemical parameter is in part a reason for the current debate regarding the Stewart formulation of acid-base analysis. We therefore posed the following question: Is it possible to generate an equation that defines and predicts the buffering of a triprotic acid that is based only on H+ partitioning without incorporating electroneutrality in the derivation? Towards this goal, we derived our new equation utilizing: 1) partitioning of H+ buffering; 2) conservation of mass; and 3) acid-base equilibria. In validating this model, we compared the predicted equilibrium pH with the measured pH of an aqueous solution consisting of Na2HPO4 to which HCl was added. The measured pH values were in excellent agreement

  7. News and views from the attosecond generation, characterization and applications frontier

    International Nuclear Information System (INIS)

    Tzallas, P.; Kalpouzos, C.; Kruse, J.; Skatzakis, E.; Charalambidis, D.

    2010-01-01

    Complete text of publication follows. We report on recent results in the generation, characterization and applications of energetic attosecond pulse trains and ultra-broad coherent XUV continua: 1) Generation: 1a) We report experimental results confirming contribution of both long and short trajectories in on-axis harmonic generation before, at and after an atomic gas jet, i.e. under three different phase matching conditions. The contribution of both trajectories is manifested through their interference leading to a modulated harmonic (and side band) yield as a function of the driving intensity. 1b) We report the generation of sub-fs pulse trains at the 40 μJ pulse energy level from laser surface plasma, measured through 2 nd order intensity volume autocorrelation (2 nd order IVAC). 2) Characterization: We present comparative studies between RABITT and 2 nd order IVAC in on axis harmonic generation before, at and after an atomic gas jet. We find that the two techniques give fairly different results that are compatible with the differently weighted but unavoidable presence of the long and short trajectory in the generation process in all three phase matching conditions. We show that the relative contributions of the two trajectories can be estimated through RABITT measurements, while spatiotemporal mean pulse durations can be extracted from 2 nd order IVAC traces. 3) Applications: 3a) We present time resolved VUV spectroscopy of ultrafast dynamics in molecular ethylene. 3b) We present time resolved XUV spectroscopy at the 1 fs temporal scale and ultra-broad band XUV Fourier Transform Spectroscopy in a manifold of doubly excited autoionizing and inner-shell Auger decaying states excited simultaneously through a coherent broadband XUV continuum. Acknowledgments. This work is supported in part by the European Community's Human Potential Program under contract MTKD-CT-2004-517145 (X-HOMES), the Ultraviolet Laser Facility (ULF) operating at FORTH-IESL (contract PHRI

  8. Benchmarking time-dependent renormalized natural orbital theory with exact solutions for a laser-driven model helium atom

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins

    2016-12-09

    -called renormalized natural orbitals (RNOs), TDRNOT is benchmarked with the help of a numerically exactly solvable model helium atom in laser fields. In the special case of time-dependent two-electron systems the two-particle density matrix in terms of ONs and NOs is known exactly. Hence, in this case TDRNOT is exact, apart from the unavoidable truncation of the number of RNOs per particle taken into account in the simulation. It is shown that, unlike TDDFT, TDRNOT is able to describe doubly-excited states, Fano profiles in electron and absorption spectra, auto-ionization, Rabi oscillations, high harmonic generation, non-sequential ionization, and single-photon double ionization in excellent agreement with the corresponding TDSE results.

  9. Defining the buffering process by a triprotic acid without relying on stewart-electroneutrality considerations

    Science.gov (United States)

    2011-01-01

    Upon the addition of protons to an aqueous solution, a component of the H+ load will be bound i.e. buffered. In an aqueous solution containing a triprotic acid, H+ can be bound to three different states of the acid as well as to OH- ions that are derived from the auto-ionization of H2O. In quantifying the buffering process of a triprotic acid, one must define the partitioning of H+ among the three states of the acid and also the OH- ions in solution in order to predict the equilibrium pH value. However, previous quantitative approaches that model triprotic acid titration behaviour and used to predict the equilibrium pH rely on the mathematical convenience of electroneutrality/charge balance considerations. This fact has caused confusion in the literature, and has led to the assumption that charge balance/electroneutrality is a causal factor in modulating proton buffering (Stewart formulation). However, as we have previously shown, although charge balance can be used mathematically as a convenient tool in deriving various formulae, electroneutrality per se is not a fundamental physicochemical parameter that is mechanistically involved in the underlying buffering and proton transfer reactions. The lack of distinction between a mathematical tool, and a fundamental physicochemical parameter is in part a reason for the current debate regarding the Stewart formulation of acid-base analysis. We therefore posed the following question: Is it possible to generate an equation that defines and predicts the buffering of a triprotic acid that is based only on H+ partitioning without incorporating electroneutrality in the derivation? Towards this goal, we derived our new equation utilizing: 1) partitioning of H+ buffering; 2) conservation of mass; and 3) acid-base equilibria. In validating this model, we compared the predicted equilibrium pH with the measured pH of an aqueous solution consisting of Na2HPO4 to which HCl was added. The measured pH values were in excellent agreement

  10. One-photon two-electron processes in helium close to the double ionization threshold; Diexcitation electronique de l'helium par un photon au voisinage du seuil de double ionisation

    Energy Technology Data Exchange (ETDEWEB)

    Bouri, C

    2007-04-15

    experimental results. We complete this work with the study of doubly excited autoionizing states.

  11. High-resolution electron spectroscopy of the 1s{sup 2}3lnl' Be-like series in oxygen and neon. Test of theoretical data: II. Experimental results

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D [Laboratoire CAR-IRSAMC, UMR 5589 CNRS - Universite Paul Sabatier, 31062 Toulouse (France)

    2003-01-14

    A complete and accurate experimental test of theoretical spectroscopic data sets (state positions, lifetimes) available for the n=3-5 terms of the 1s{sup 2}3lnl' Rydberg series of oxygen and neon ions is presented in a series of two papers. This result was achieved by fitting our high-resolution electron spectra with post-collisional lineshapes calculated with the help of these spectroscopic data. In this second paper we apply the fitting procedure described in the preceding companion paper (I) to the analysis of high-resolution electron spectra measured in O{sup 6+} (1s{sup 2}) + He, H{sub 2} and Ne{sup 8+} (1s{sup 2}) + He collisional systems at 10 qkeV collision energy (q is the ion charge). Singlet states alone are found to be excited in oxygen; they also explain most of the neon lines; in the latter case a possible contribution of triplet states is discussed. Many 1s{sup 2}3lnl' {sup 1}L transitions are identified for the first time. A quantitative comparison between measured and calculated positions clearly points to the best theoretical data currently available. Finally, a first identification of some 4l4l' {sup 1}L transitions observed in the neon spectrum is also proposed. From this huge spectroscopic work, we extract the first experimental partial branching ratios for autoionization into the 1s{sup 2}2l ionization continua for a large number of 1s{sup 2}3lnl' {sup 1}L states, which are compared with the total ones calculated by other authors; we deduce that populations of |M{sub L} vertical bar = 0 and 1 magnetic sublevels are nearly identical. The double-capture process is also briefly characterized by comparing relative populations of many n=3-5 states; it is found that the same states are populated in O{sup 6+} +H{sub 2} and Ne{sup 8+} +He collisional systems with the same relative populations.

  12. Laser Materials and Laser Spectroscopy - A Satellite Meeting of IQEC '88

    Science.gov (United States)

    Wang, Zhijiang; Zhang, Zhiming

    1989-03-01

    Highly Excited Vibrational State * Investigation of the Stark Effect in Xenon Autoionizing Rydberg Series with the Use of Coherent Tunable XUV Radiation * Laser Spectroscopy of Autoionising 5 dnf J = 4.5 Rydberg Series of Ba I * Resonance Photoionization Spectroscopy of Atoms: Autoionization and Highly Excited States of Kr and U * Stark Spectra of Strontium and Calcium Atoms * Observation of Bidirectional Stimulated Radiation at 330 nm, 364 nm and 718 nm with 660 nm Laser Pumping in Sodium Vapour * Study of Molecular Rydberg States and their Discriminations in Na2 * The Measurement of the High Excited Spectra of Samarium by using Stepwise Laser Excitation Method * Product Analysis in the Reaction of the Two-photon Excited Xe(5p56p) States with Freons * Photoionization Spectra of Ca and Sr Atoms above the Classical Field-ionization Threshold * Effect of Medium Background on the Hydrogen Spectrum * Photoemission and Photoelectron Spectra from Autoionizing Atoms in Strong Laser Field * Natural Radiative Lifetime Measurements of High-lying States of Samarium * Two-step Laser Excitation of nf Rydberg States in Neutral Al and Observation of Stark Effect * Measurements of Excited Spectra of the Refractory Metal Elements using Discharge Synchronized with the Laser Pulse * Multiphoton Ionization of Atomic Lead at 1.06μ * Kinetic Processes in the Electron-beam pumped KrF Laser * Laser-induced Fluorescence of Zn2 Excimer * Calculation of Transition Intensity in Heteronuclear Dimer NaK: Comparison with Experiment * Laser-induced Fluorescence of CCl2 Carbene * Study of Multiphoton Ionization Spectrum of Benzene and Two-photon Absorption Cross Section * Dicke Narrowing of N2O Linewidth Perturbed by N2 at 10 μm Band * Polyatomic Molecular Ions Studied by Laser Photodissociation Spectroscopy * Transverse-optically Pumped Ultraviolet S2 Laser * Multiphoton Ionization of Propanal by High Power Laser * UV MPI Mass Spectroscopy and Dynamics of Photodissociation of SO2 * Multiphoton

  13. A Separable Insertion Method to Calculate Atomic and Molecular Resonances on a FE-DVR Grid using Exterior Complex Scaling

    Science.gov (United States)

    Abeln, Brant Anthony

    The study of metastable electronic resonances, anion or neutral states of finite lifetime, in molecules is an important area of research where currently no theoretical technique is generally applicable. The role of theory is to calculate both the position and width, which is proportional to the inverse of the lifetime, of these resonances and how they vary with respect to nuclear geometry in order to generate potential energy surfaces. These surfaces are the basis of time-dependent models of the molecular dynamics where the system moves towards vibrational excitation or fragmentation. Three fundamental electronic processes that can be modeled this way are dissociative electronic attachment, vibrational excitation through electronic impact and autoionization. Currently, experimental investigation into these processes is being preformed on polyatomic molecules while theoreticians continue their fifty-year-old search for robust methods to calculate them. The separable insertion method, investigated in this thesis, seeks to tackle the problem of calculating metastable resonances by using existing quantum chemistry tools along with a grid-based method employing exterior complex scaling (ECS). Modern quantum chemistry methods are extremely efficient at calculating ground and (bound) excited electronic states of atoms and molecules by utilizing Gaussian basis functions. These functions provide both a numerically fast and analytic solution to the necessary two-electron, six-dimensional integrals required in structure calculations. However, these computer programs, based on analytic Gaussian basis sets, cannot construct solutions that are not square-integrable, such as resonance wavefunctions. ECS, on the other hand, can formally calculate resonance solutions by rotating the asymptotic electronic coordinates into the complex plane. The complex Siegert energies for resonances, Eres = ER - iGamma/2 where ER is the real-valued position of the resonance and Gamma is the width

  14. BOOK REVIEW: Computational Atomic Structure

    Science.gov (United States)

    Post, Douglass E.

    1998-02-01

    introduction to atomic structure. It covers single and many electron systems, how to set up a basis set of wavefunctions for a many electron system, LS coupling, single and multi-electron Hamiltonians, the elementary Hartree-Fock approximation and how variational methods are used to determine the ground state energy and wavefunctions. The computational methods used in the codes are outlined and there are exercises at the end of each chapter. For a number of candidate atomic configurations, explicit examples are given that illustrate the physics, the approximations and the computational methods involved, and which provide the reader with the opportunity to check that he is using the suite of codes correctly. Relativistic effects are covered as perturbations with Breit-Pauli Hamiltonians. Isotope and hyperfine level splitting are also covered. A summary chapter covers allowed and forbidden bound-bound transitions. It describes how to set up the matrix elements for transition operators, and the determination of selection rules and computational aspects of the methods for allowed and forbidden lines. The last chapter provides a brief introduction to continuum transitions, including how to compute the necessary wavefunctions to calculate photoionization or photodetachment and autoionization processes. Several appendices provide a summary of angular momentum theory, an introduction to the Dirac and Breit-Pauli theory for relativistic processes, and a description of the input parameters needed to run the programs. In summary, the book is an almost essential guide to anyone planning to use the Multi-Configuration Hartree-Fock suite of codes. With this guide, even someone not thoroughly familiar with the details of the subject or the codes should be able to use them to obtain energy levels, wavefunctions and transition rates for any atomic system of interest. This book serves as a model example for the general computational physics community of how to document an important suite of

  15. Final Report on Atomic Database Project

    International Nuclear Information System (INIS)

    Yuan, J.; Gui, Z.; Moses, G.A.

    2006-01-01

    LTE model, the calculation is simple since the Boltzmann distribution can be used. As long as we have the energy levels and the ionization energy, we can calculate the plasma population very easily. However, for the non-LTE model, the calculation is very complex since various atomic data are required to build the transition balance matrix. Currently, empirical formulas are used to calculate these data such as electron collision ionization and autoionization. Furnished with these tested atomic data computing codes, we have developed a friendly user interface and a flexible atomic database [5]. The UTA model is considered the most practical method for medium and high Z elements since it is very time-consuming and difficult to calculate the enormous number of the transitions. However, the UTA model may overestimate the opacity, therefore, the DTA model is desirable even for medium and high Z elements. With the constant decrease in the cost of the disk storage and increase of CPU speed, it is possible to apply the DTA model to the medium and high Z elements. In this project, we calculate opacities for high Z elements in fully detailed term accounting model for significant populated states. For the various rate coefficients, we calculate the data using the detailed configuration accounting approximation. In order to handle the large volume of data generated for medium to high-Z atoms, we use the HDF data format as our database format, which is becoming a standard for storing scientific data. We have built a sophisticated graphical user interface using Java technology to distinguish our atomic database from other existing databases. Unlike other atomic databases, in which the users can obtain the opacity data in a pair of photon energy and opacity, in our database the user can browser more detailed atomic data information other than the opacity data set by combining our atomic database and Java technology. For example, the user can find out the abundant ion stage and