WorldWideScience

Sample records for electronically excited alkali

  1. Electron excitation of alkali atoms

    International Nuclear Information System (INIS)

    Ormonde, S.

    1979-02-01

    The development and testing of a synthesized close-coupling effective model potential ten-channel electron-atom scattering code and some preliminary calculations of resonances in cross sections for the excitation of excited states of potassium by low energy electrons are described. The main results obtained are: identification of 1 S and 1 D structures in excitation cross sections below the 5 2 S threshold of neutral potassium; indications of additional structures - 1 P and 1 D between the 5 2 S and 5 2 D thresholds; and a suggested explanation of anomalously high interstate-electron impact excitation cross sections inferred from experiments on potassium-seeded plasmas. The effective potential model imbedded in the code can be used to simulate any atomic system that can be approximated by a single bound electron outside an ionic core. All that is needed is a set of effective potential parameters--experimental or theoretical. With minor modifications the code could be adapted to calculations of electron scattering by two-electron systems

  2. Reactive scattering of electronically excited alkali atoms with molecules

    International Nuclear Information System (INIS)

    Mestdagh, J.M.; Balko, B.A.; Covinsky, M.H.; Weiss, P.S.; Vernon, M.F.; Schmidt, H.; Lee, Y.T.

    1987-06-01

    Representative families of excited alkali atom reactions have been studied using a crossed beam apparatus. For those alkali-molecule systems in which reactions are also known for ground state alkali and involve an early electron transfer step, no large differences are observed in the reactivity as Na is excited. More interesting are the reactions with hydrogen halides (HCl): it was found that adding electronic energy into Na changes the reaction mechanism. Early electron transfer is responsible of Na(5S, 4D) reactions, but not of Na(3P) reactions. Moreover, the NaCl product scattering is dominated by the HCl - repulsion in Na(5S, 4D) reactions, and by the NaCl-H repulsion in the case of Na(3P). The reaction of Na with O 2 is of particular interest since it was found to be state specific. Only Na(4D) reacts, and the reaction requires restrictive constraints on the impact parameter and the reactants' relative orientation. The reaction with NO 2 is even more complex since Na(4D) leads to the formation of NaO by two different pathways. It must be mentioned however, that the identification of NaO as product in these reactions has yet to be confirmed

  3. Reaction dynamics of electronically excited alkali atoms with simpler molecules

    International Nuclear Information System (INIS)

    Weiss, P.S.; Mestdagh, J.M.; Schmidt, H.; Vernon, M.F.; Covinsky, M.H.; Balko, B.A.; Lee, Y.T.

    1985-05-01

    The reactions of electronically excited sodium atoms with simple molecules have been studied in crossed molecular beams experiments. Electronically excited Na(3 2 P/sub 3/2/, 4 2 D/sub 5/2/, and 5 2 S/sub 1/2/) were produced by optical pumping using single frequency dye lasers. The effects of the symmetry, and the orientation and alignment of the excited orbital on the chemical reactivity, and detailed information on the reaction dynamics were derived from measurements of the product angular and velocity distributions. 12 refs., 9 figs

  4. Excited-atom production by electron and ion bombardment of alkali halides

    International Nuclear Information System (INIS)

    Walkup, R.E.; Avouris, P.; Ghosh, A.P.

    1987-01-01

    We present experimental results on the production of excited atoms by electron and ion bombardment of alkali halides. For the case of electron bombardment, Doppler shift measurements show that the electronically excited atoms have a thermal velocity distribution in equilibrium with the surface temperature. Measurements of the absolute yield of excited atoms, the distribution of population among the excited states, and the systematic dependence on incident electron current and sample temperature support a model in which the excited atoms are produced by gas-phase collisions between desorbed ground-state atoms and secondary electrons. In contrast, for the case of ion bombardment, the excited atoms are directly sputtered from the surface, with velocity distributions characteristic of a collision cascade, and with typical energies of --10 eV

  5. Negative ion formation in collisions involving excited alkali atoms

    International Nuclear Information System (INIS)

    Cheret, M.

    1988-01-01

    Ion-pair production is considered as the prototype of the crossing problem between potential energy curves. In general an alkali atom is one of the reactants the other being an halogen, hydrogen atom or molecule. Experimental results are generally analyzed in the framework of the Landau-Zener-Stuekelberg theory, ionization potential and electron affinity, being the most important parameters. In order to vary these parameters over a wide range two experimental works have been devoted to systems of excited alkali atoms colliding with ground state alkali atoms. In the first study Rb atoms are excited to various ns or nd states from Rb(5d) to Rb(9s) in a cell. The second study is devoted to the Na(3p)-Na(3s) system, in this study also the possibility of creating excited negative ions (Na - (3s3p)) has been investigated. These results are presented and analyzed. Finally further developments of the subject are suggested. 17 refs.; 8 figs.; 1 table

  6. ns-ms excitation of alkali atoms in the Glauber approximation

    International Nuclear Information System (INIS)

    Barros, H.G. de P.L. de

    1980-05-01

    An expression for the scattering amplitude in the Glauber approximation for ns-ms electronic excitation of alkali atoms is obtained. The interaction potential between the incident electron, the core electrons and N-1 protons is approximated by an appropriate spherical potential. (Author) [pt

  7. Inner-shell excitation of alkali-metal atoms

    International Nuclear Information System (INIS)

    Tiwary, S.N.

    1987-06-01

    Inner-shell excitation of alkali-metal atoms, which leads to auto-ionization, is reviewed. The validity of quantum mechanical approximation is analyzed and the importance of exchange and correlation is demonstrated. Basic difficulties in making accurate calculations for inner-shell excitation process are discussed. Suggestions are made for further study of inner-shell process in atoms and ions. (author). 26 refs, 4 figs, 1 tab

  8. Collective excitations in deformed alkali metal clusters

    International Nuclear Information System (INIS)

    Lipparini, E.; Stringari, S.; Istituto Nazionale di Fisica Nucleare, Povo

    1991-01-01

    A theoretical study of collective excitations in deformed metal clusters is presented. Sum rules are used to study the splittings of the dipole surface plasma resonance originating from the cluster deformation. The vibrating potential model is developed and used to predict the occurrence of a low lying collective mode of orbital magnetic nature. (orig.)

  9. Liquid alkali metals and alkali-based alloys as electron-ion plasmas

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1981-06-01

    The article reviews the theory of thermodynamic and structural properties of liquid alkali metals and alkali-based alloys, within the framework of linear screening theory for the electron-ion interactions. (author)

  10. On the difference in oscillator strengths of inner shell excitations in noble gases and their alkali neighbors

    International Nuclear Information System (INIS)

    Amusia, M.Y.; Baltenkov, A.S.; Zhuravleva, G.I.

    1995-01-01

    It is demonstrated that the oscillator strength of resonant inner-shell excitation in a noble gas atom is considerably smaller than that in its alkali neighbor because in the latter case the effective charge acting upon excited electron is much bigger. With increase of the excitation's principal quantum number the difference between line intensities in noble gases and their alkali neighbors rapidly disappears. The calculations are performed in the Hartree-Fock approximation and with inclusion of rearrangement effects due to inner vacancy creation and its Auger decay. A paper has been submitted for publication

  11. Structural, elastic, electronic and optical properties of bi-alkali ...

    Indian Academy of Sciences (India)

    The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.

  12. Electron-excited molecule interactions

    International Nuclear Information System (INIS)

    Christophorou, L.G.; Tennessee Univ., Knoxville, TN

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10 6 to 10 7 times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs

  13. F-center and self-trapped exciton formation in strongly excited alkali halide crystals

    International Nuclear Information System (INIS)

    Kravchenko, V.A.; Yakovlev, V.Yu.

    1988-01-01

    Method of luminescent and absorption spectroscopy with time resolution was used to study the effect of density of electron pulse excitation (t p =10 -8 s, P=(10 5 -10 8 ) WXcm -2 ) on efficiency of η ε two-halide autolocalized exciton (TALE) and F-centers (η F ) formation in CsI, CsBr, KBr, KI alkali halide crystals. It was established that for all studied systems the elevation of P power of electron beam (EB) from 10 5 up to 5X10 7 WXcm -2 resulted to sufficient decrease of production efficiency and yield of TALE luminescence. In the case when F-centers of colour are induced predominantly by pulsed irradiation in crystals, F-center yield is independent of P. If F-centers and TALE are produced in comparable amounts (CsBr crystals, T=80 K), η ε decrease with P growth is accompanied by η F growth

  14. Multi-quantum excitation in optically pumped alkali atom: rare gas mixtures

    Science.gov (United States)

    Galbally-Kinney, K. L.; Rawlins, W. T.; Davis, S. J.

    2014-03-01

    Diode-pumped alkali laser (DPAL) technology offers a means of achieving high-energy gas laser output through optical pumping of the D-lines of Cs, Rb, and K. The exciplex effect, based on weak attractive forces between alkali atoms and polarizable rare gas atoms (Ar, Kr, Xe), provides an alternative approach via broadband excitation of exciplex precursors (XPAL). In XPAL configurations, we have observed multi-quantum excitation within the alkali manifolds which result in infrared emission lines between 1 and 4 μm. The observed excited states include the 42FJ states of both Cs and Rb, which are well above the two-photon energy of the excitation laser in each case. We have observed fluorescence from multi-quantum states for excitation wavelengths throughout the exciplex absorption bands of Cs-Ar, Cs-Kr, and Cs-Xe. The intensity scaling is roughly first-order or less in both pump power and alkali concentration, suggesting a collisional energy pooling excitation mechanism. Collisional up-pumping appears to present a parasitic loss term for optically pumped atomic systems at high intensities, however there may also be excitation of other lasing transitions at infrared wavelengths.

  15. Structure of liquid alkali metals as electron-ion plasmas

    International Nuclear Information System (INIS)

    Chaturvedi, D.K.; Senatore, G.; Tosi, M.P.

    1980-08-01

    The static structure factor of liquid alkali metals near freezing, and its dependence on temperature and pressure, are evaluated in an electron-ion plasma model from an accurate theoretical determination of the structure factor of the one-component classical plasma and electron-screening theory. Very good agreement is obtained with the available experimental data. (author)

  16. Electron distribution function in electron-beam-excited plasmas

    International Nuclear Information System (INIS)

    Brau, C.A.

    1976-01-01

    In monatomic plasmas excited by high-intensity relativistic electron beams, the electron secondary distribution function is dominated by elastic electron-electron collisions at low electron energies and by inelastic electron-atom collisions at high electron energies (above the excitation threshold). Under these conditions, the total rate of excitation by inelastic collisions is limited by the rate at which electron-electron collisions relax the distribution function in the neighborhood of the excitation threshold. To describe this effect quantitatively, an approximate analytic solution of the electron Boltzmann equation is obtained, including both electron-electron and inelastic collisions. The result provides a simple formula for the total rate of excitation

  17. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.

    2012-12-03

    The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.

  18. Quenching reactions of electronically excited atoms

    International Nuclear Information System (INIS)

    Setser, D.W.

    2001-01-01

    The two-body, thermal quenching reactions of electronically excited atoms are reviewed using excited states of Ar, Kr, and Xe atoms as examples. State-specific interstate relaxation and excitation-transfer reactions with atomic colliders are discussed first. These results then are used to discuss quenching reactions of excited-state atoms with diatomic and polyatomic molecules, the latter have large cross sections, and the reactions can proceed by excitation transfer and by reactive quenching. Excited states of molecules are not considered; however, a table of quenching rate constants is given for six excited-state molecules in an appendix

  19. First principle calculations of alkali hydride electronic structures

    International Nuclear Information System (INIS)

    Novakovic, N; Radisavljevic, I; Colognesi, D; Ostojic, S; Ivanovic, N

    2007-01-01

    Electronic structure, volume optimization, bulk moduli, elastic constants, and frequencies of the transversal optical vibrations in LiH, NaH, KH, RbH, and CsH are calculated using the full potential augmented plane wave method, extended with local orbitals, and the full potential linearized augmented plane wave method. The obtained results show some common features in the electronic structure of these compounds, but also clear differences, which cannot be explained using simple empirical trends. The differences are particularly prominent in the electronic distributions and interactions in various crystallographic planes. In the light of these findings we have elaborated some selected experimental results and discussed several theoretical approaches frequently used for the description of various alkali hydride properties

  20. Electron detachment energies in high-symmetry alkali halide solvated-electron anions

    Science.gov (United States)

    Anusiewicz, Iwona; Berdys, Joanna; Simons, Jack; Skurski, Piotr

    2003-07-01

    We decompose the vertical electron detachment energies (VDEs) in solvated-electron clusters of alkali halides in terms of (i) an electrostatic contribution that correlates with the dipole moment (μ) of the individual alkali halide molecule and (ii) a relaxation component that is related to the polarizability (α) of the alkali halide molecule. Detailed numerical ab initio results for twelve species (MX)n- (M=Li,Na; X=F,Cl,Br; n=2,3) are used to construct an interpolation model that relates the clusters' VDEs to their μ and α values as well as a cluster size parameter r that we show is closely related to the alkali cation's ionic radius. The interpolation formula is then tested by applying it to predict the VDEs of four systems [i.e., (KF)2-, (KF)3-, (KCl)2-, and (KCl)3-] that were not used in determining the parameters of the model. The average difference between the model's predicted VDEs and the ab initio calculated electron binding energies is less than 4% (for the twelve species studied). It is concluded that one can easily estimate the VDE of a given high-symmetry solvated electron system by employing the model put forth here if the α, μ and cation ionic radii are known. Alternatively, if VDEs are measured for an alkali halide cluster and the α and μ values are known, one can estimate the r parameter, which, in turn, determines the "size" of the cluster anion.

  1. Electron core ionization in compressed alkali metal cesium

    Science.gov (United States)

    Degtyareva, V. F.

    2018-01-01

    Elements of groups I and II in the periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc-types, defined by electrostatic (Madelung) energy. Diverse structures were found under high pressure with decrease of the coordination number, packing fraction and symmetry. Formation of complex structures can be understood within the model of Fermi sphere-Brillouin zone interactions and supported by Hume-Rothery arguments. With the volume decrease there is a gain of band structure energy accompanied by a formation of many-faced Brillouin zone polyhedra. Under compression to less than a half of the initial volume the interatomic distances become close to or smaller than the ionic radius which should lead to the electron core ionization. At strong compression it is necessary to assume that for alkali metals the valence electron band overlaps with the upper core electrons, which increases the valence electron count under compression.

  2. Symmetry characterization of electrons and lattice excitations

    Directory of Open Access Journals (Sweden)

    Schober H.

    2012-03-01

    Full Text Available Symmetry concerns all aspects of a physical system from the electronic orbitals to structural and magnetic excitations. In this article we will try to elaborate the fundamental connection between symmetry and excitations. As excitations are manyfold in physical systems it is impossible to treat them exhaustively. We thus concentrate on the two topics of Bloch electrons and phonons. These two examples are complementary in the sense that Bloch electrons describe single particles in an external periodic potential while phonons exemplify a decoupled system of interacting particles. The way we develop the argument gives as by-product a short account of molecular orbitals and molecular vibrations.

  3. Dissociative Excitation of Thymine by Electron Impact

    Science.gov (United States)

    McConkey, William; Tiessen, Collin; Hein, Jeffrey; Trocchi, Joshuah; Kedzierski, Wladek

    2014-05-01

    A crossed electron-gas beam system coupled to a VUV spectrometer has been used to investigate the dissociation of thymine (C5H6N2O2) into excited atomic fragments in the electron-impact energy range from threshold to 375 eV. A special stainless steel oven is used to vaporize the thymine and form it into a beam where it is intersected by a magnetically collimated electron beam, typical current 50 μA. The main features in the spectrum are the H Lyman series lines. The probability of extracting excited C or N atoms from the ring is shown to be very small. In addition to spectral data, excitation probability curves as a function of electron energy will be presented for the main emission features. Possible dissociation channels and excitation mechanisms in the parent molecule will be discussed. The authors thank NSERC (Canada) for financial support.

  4. Electron-impact excitation of molecular ions

    International Nuclear Information System (INIS)

    Neufeld, D.A.; Dalgarno, A.

    1989-01-01

    A simple expression is derived that relates the rate coefficient for dipole-allowed electron-impact excitation of a molecular ion in the Coulomb-Born approximation to the Einstein A coefficient for the corresponding radiative decay. Results are given for several molecular ions of astrophysical interest. A general analytic expression is obtained for the equilibrium rotational level populations in the ground vibrational state of any molecular ion excited by collisions with electrons. The expression depends only upon the electron temperature, the electron density, and the rotational constant of the molecular ion. A similar expression is obtained for neutral polar molecules

  5. Electronic and atomic structures of liquid tellurium containing alkali elements

    International Nuclear Information System (INIS)

    Kawakita, Yukinobu; Yao, Makoto; Endo, Hirohisa.

    1997-01-01

    The measurements of electrical conductivity σ, density, EXAFS and neutron scattering were carried out for liquid K-Te and Rb-Te mixtures. The conductivity σ decreases rapidly with alkali concentration and a metal-semiconductor transition occurs at about 10 at.% alkali. It is found that the compositional variation of σ is nearly independent of the alkali species. The Te-Te bond length deduced from EXAFS and neutron scattering measurements is 2.8 A and changes little with alkali concentrations. The average distances from K and Rb atom to Te atoms are 3.6 A and 3.8 A, respectively. Two kinds of relaxation processes are observed in quasielastic neutron scattering for K 20 Te 80 . Upon the addition of alkali the interaction between the neighbouring Te chains, which is responsible for the metallic conduction, weaken considerably. (author)

  6. Electron-beam-excited gas laser research

    International Nuclear Information System (INIS)

    Johnson, A.W.; Gerardo, J.B.; Patterson, E.L.; Gerber, R.A.; Rice, J.K.; Bingham, F.W.

    1975-01-01

    Net energy gain in laser fusion places requirements on the laser that are not realized by any existing laser. Utilization of relativistic electron beams (REB's), a relatively new source for the excitation of gas laser media, may lead to new lasers that could satisfy these requirements. Already REB's have been utilized to excite gas laser media and produce gas lasers that have not been produced as successfully any other way. Electron-beam-excitation has produced electronic-transition dimer lasers that have not yet been produced by any other excitation scheme (for example, Xe 2 / sup *(1)/, Kr:O(2 1 S)/sup 2/, KrF/sup *(3)/). In addition, REB's have initiated chemical reactions to produce HF laser radiation with unique and promising results. Relativistic-electron-beam gas-laser research is continuing to lead to new lasers with unique properties. Results of work carried out at Sandia Laboratories in this pioneering effort of electron-beam-excited-gas lasers are reviewed. (U.S.)

  7. Transmission electron microscopy of weakly deformed alkali halide crystals

    International Nuclear Information System (INIS)

    Strunk, H.

    1976-01-01

    Transmission electron microscopy (TEM) is applied to the investigation of the dislocation arrangement of [001]-orientated alkali halide crystals (orientation four quadruple slip) deformed into stage I of the work-hardenig curve. The investigations pertain mainly to NaCl - (0.1-1) mole-% NaBr crystals, because these exhibit a relatively long stage I. The time available for observing the specimens is limited by the ionization radiation damage occuring in the microscope. An optimum reduction of the damage rate is achieved by a combination of several experimental techniques that are briefly outlined. The crystals deform essentially in single glide. According to the observations, stage I deformation of pure and weakly alloyed NaCl crystals is characterized by the glide of screw dislocations, which bow out between jogs and drag dislocation dipoles behind them. In crystals with >= 0.5 mole-% NaBr this process is not observed to occur. This is attributed to the increased importance of solid solution hardening. (orig.) [de

  8. Electronic excitation and Auger spectroscopy of hexamethyldissilane

    International Nuclear Information System (INIS)

    Souza, G.G.B. de; Azevedo e Souza, A.C. de; Martins, R.J.; Lucas, C.A.

    1988-01-01

    In this work, it is presented an spectroscopic study of Si 2 (CH 3 ) 6 which presents interesting characteristics in the Si - Si bond. Electron energy loss technique was used in the energy range of 500 - 200 eV for the electron beam. Electronic excitation spectra were obtained for the energy loss range from 5 to 30 eV, and also Auger spectra. (A.C.A.S.) [pt

  9. Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

    International Nuclear Information System (INIS)

    Meyer, Michael

    2011-01-01

    The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

  10. Dissociative Excitation of Adenine by Electron Impact

    Science.gov (United States)

    McConkey, J. William; Trocchi, Joshuah; Dech, Jeffery; Kedzierski, Wladek

    2017-04-01

    Dissociative excitation of adenine (C6H5NH2) into excited atomic fragments has been studied in the electron impact energy range from threshold to 300 eV. A crossed beam system coupled to a vacuum ultraviolet (VUV) monochromator is used to study emissions in the wavelength range from 110 to 200 nm. The beam of adenine vapor from a stainless steel oven is crossed at right angles by the electron beam and the resultant UV radiation is detected in a mutually orthogonal direction. The strongest feature in the spectrum is H Lyman- α. Financial support from NSERC and CFI, Canada, is gratefully acknowledged.

  11. Electronic excitation of Na atom by electron impact

    International Nuclear Information System (INIS)

    Bielschowsky, C.E.; Souza, G.G.B. de; Lucas, C.A.; Nogueira, J.C.

    1988-01-01

    Electronic excitation of the 3s-3p transition in the Na atom was studied by intermediate energy electron impact spectroscopy. Differential Cross Sections (DCS) and Generalized Oscillator Strenghts (GOS) were determined experimentally for 1 KeV electrons. Theoretical results within the First Born Approximation as well as Glauber theory, were also performed. (A.C.A.S.) [pt

  12. Influence of N-O chemistry on the excitation of alkali metals by a non-transferred DC plasma jet

    International Nuclear Information System (INIS)

    Haeyrinen, Ville; Oikari, Risto; Hernberg, Rolf

    2004-01-01

    Excitation of Na(3p) and K(4p) states by a high velocity non-transferred direct current plasma jet was studied. A turbulent nitrogen plasma jet was discharged into an atmosphere consisting of nitrogen and oxygen, laden with trace amounts of alkali. The line reversal temperatures of Na and K depend on the molar fraction of oxygen and may deviate considerably from the gas temperature. The reaction pressure was 0.1 MPa. The measured line reversal temperatures were reproduced by a simple chemical model. At temperatures near 2000 K non-equilibrium is caused by association of nitrogen atoms by the Zeldovich mechanism, which affects the vibrational temperature of nitrogen molecules. Near 1000 K excitation may also take place due to a chemiluminescent mechanism between alkali metals and ozone

  13. Electroluminescence from graphene excited by electron tunneling

    International Nuclear Information System (INIS)

    Beams, Ryan; Bharadwaj, Palash; Novotny, Lukas

    2014-01-01

    We use low-energy electron tunneling to excite electroluminescence in single layer graphene. Electrons are injected locally using a scanning tunneling microscope and the luminescence is analyzed using a wide-angle optical imaging system. The luminescence can be switched on and off by inverting the tip–sample bias voltage. The observed luminescence is explained in terms of a hot luminescence mechanism. (paper)

  14. Study of single-electron excitations by electron microscopy

    International Nuclear Information System (INIS)

    Craven, A.J.; Gibson, J.M.; Howie, A.; Spalding, D.R.

    1978-01-01

    The inelastic scattering of fast electrons by the excitation of L-shell electrons at a stacking fault in silicon has been studied with a scanning transmission electron microscope. It was found that the bright-field stacking fault contrast is preserved in the filtered L-shell-loss signal at 100 eV. This result is discussed in terms of the delocalization of the excitation mechanism. It is concluded that localization effects will typically become significant only for energy transfers greater than 1 keV from a fast electron of energy 80 keV. (author)

  15. Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

    Science.gov (United States)

    Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas

    2018-04-01

    The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.

  16. Energy distributions of atoms sputtered from alkali halides by 540 eV electrons, Ch.1

    International Nuclear Information System (INIS)

    Overeijnder, H.; Szymonski, M.; Haring, A.; Vries, A.E. de

    1978-01-01

    The emission of halogen and alkali atoms, occurring under bombardment of alkali halides with electrons has been investigated. The electron energy was 540 eV and the temperature of the target was varied between room temperature and 400 0 C. The energy distribution of the emitted neutral particles was measured with a time of flight method. It was found that either diffusing interstitial halogen atoms or moving holes dominate the sputtering process above 200 0 C. Below 150 0 C alkali halides with lattice parameters s/d >= 0.33 show emission of non-thermal halogen atoms. s is the interionic space between two halogen ions in a direction and d is the diameter of a halogen atom. In general the energy distribution of the alkali and halogen atoms is thermal above 200 0 C, but not Maxwellian. (Auth.)

  17. Electron impact excitation of the lowest doublet and quartet core-excited autoionizing states in Rb atoms

    International Nuclear Information System (INIS)

    Borovik, A; Roman, V; Zatsarinny, O; Bartschat, K

    2013-01-01

    Electron impact excitation of the (4p 5 5s 2 ) 2 P 3/2,1/2 and (4p 5 4d5s) 4 P 1/2,3/2,5/2 autoionizing states in rubidium atoms was studied experimentally by measuring the ejected-electron excitation functions and theoretically by employing a fully relativistic Dirac B-spline R-matrix (close-coupling) model. The experimental data were collected in an impact energy range from the respective excitation thresholds up to 50 eV with an incident electron energy resolution of 0.2 eV and an observation angle of 54.7°. Absolute values of the excitation cross sections were obtained by normalizing to the theoretical predictions. The observed near-threshold resonance structures were also analysed by comparison with theory. For the 2 P 3/2,1/2 doublet states, a detailed analysis of the R-matrix results reveals that the most intense resonances are related to odd-parity negative-ion states with dominant configurations 4p 5 5s5p 2 and 4p 5 4d5s6s. The measured excitation functions for the 2 P 1/2 and 4 P J states indicate a noticeable cascade population due to the radiative decay from high-lying autoionizing states. A comparative analysis with similar data for other alkali atoms is also presented.

  18. Electronic and structural ground state of heavy alkali metals at high pressure

    Science.gov (United States)

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

    2015-02-01

    Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

  19. X-ray yields by low energy heavy ion excitation in alkali halide solid targets

    International Nuclear Information System (INIS)

    Kurup, M.B.; Prasad, K.G.; Sharma, R.P.

    1981-01-01

    Solid targets of the alkali halides KCl, NaCl and KBr are bombarded with ion beams of 35 Cl + , 40 Ar + and 63 Cu + in the energy range 165 keV to 320 keV. The MO and characteristic K X-ray yields resulting from the ion-atom collision have been systematically studied. Both MO and Cl K X-ray yields are enhanced by factors 3.5 and 2 respectively in KCl targets as compared to that in NaCl when bombarded with either Cl + or Ar + projectiles. An intercomparison of MO and K X-ray yields for a given projectile-target combination has shown that the latter increases ten times faster than the former as the energy of the projectile is increased from 165 to 320 keV indicating a correspondingly stronger velocity dependence of the K X-ray production process. The X-ray yields observed in the symmetric Cl-Cl collision are identical to those observed in the asymmetric Ar-Cl collision for the same projectile velocities in both KCl and NaCl targets. It is inferred that the multiple ionization of the projectile resulting in an increase in the binding energy of its inner shells offsets the expected enhancement in the X-ray yields in a symmetric collision. The same projectiles, Ar or Cl, incident on KBr targets have produced only Br L X-rays. Using substantially heavier projectiles than the target atoms (Na, K and Cl), like 63 Cu + ions, the inner shell excitation by recoiling atoms is shown. (orig.)

  20. Electron-impact excitation of Zn II

    International Nuclear Information System (INIS)

    Msezane, A.Z.; Henry, R.J.W.

    1982-01-01

    Collision strengths are calculated for excitation of Zn II from the 4s ground state to excited states 4p, 3d 9 4s 2 , 5s, and 4d in a five-state close-coupling approximation for the electron-impact energy range 15 5 3d 10 4s 2 in a two-state close-coupling approximation for the same energy range. Accurate target functions are used in the expansion. Very good agreement with measurements of absolute emission cross sections of Rogers et al. is obtained for energy region 15< E<100 eV, when cascade contributions are included. Poorer agreement is obtained with experiment for excitation of the 5s state, owing to sensitivities in the close-coupling approximation

  1. Electron spectroscopy of collisional excited atoms

    International Nuclear Information System (INIS)

    Straten, P. van der.

    1987-01-01

    In this thesis measurements are described in which coincidences are detected between scattered projectiles and emitted electrons. This yields information on two-electron excitation processes. In order to show what can be learnt from coincidence experiments a detailed theoretical analysis is given. The transition amplitudes, which contain all the information, are introduced (ch.2). In ch.3 the experimental set-up is shown. The results for the Li + -He system are shown in ch. 7 and are compared with predictions based on the Molecular-Orbitalmodel which however does not account for two-excitation mechanisms. With the transition amplitudes also the wave function of the excited atom has been completely determined. In ch.8 the shape of the electron cloud, induced by the collision, is derived from the amplitudes. The relation between the oscillatory motion of this cloud after the collision and the correlation between the two electrons of the excited atom is discussed. In ch. 6 it is shown that the broad structures in the non-coincident energy spectra of the Li + -He system are erroneously interpretated as a result of electron emission from the (Li-He) + -quasimolecule. A model is presented which explains, based on the results obtained from the coincidence measurements, these broad structures. In ch. 4 the Post-Collision Interaction process is treated. It is shown that for high-energy collisions, in contrast with general assumptions, PCI is important. In ch. 5 the importance of PCI-processes in photoionization of atoms, followed by Auger decay, are studied. From the formulas derived in ch. 4 simple analytical results are obtained. These are applied to recent experiments and good agreement is achieved. 140 refs.; 55 figs.; 9 tabs

  2. Search for Excited Electrons at HERA

    CERN Document Server

    Adloff, C.; Andrieu, B.; Anthonis, T.; Astvatsatourov, A.; Babaev, A.; Bahr, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Baumgartner, S.; Becker, J.; Beckingham, M.; Beglarian, A.; Behnke, O.; Belousov, A.; Berger, C.; Berndt, T.; Bizot, J.C.; Bohme, J.; Boudry, V.; Braunschweig, W.; Brisson, V.; Broker, H.B.; Brown, D.P.; Bruncko, D.; Busser, F.W.; Bunyatyan, A.; Burrage, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Caron, S.; Cassol-Brunner, F.; Clarke, D.; Collard, C.; Contreras, J.G.; Coppens, Y.R.; Coughlan, J.A.; Cousinou, M.C.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; Davidsson, M.; Delcourt, B.; Delerue, N.; Demirchyan, R.; De Roeck, A.; De Wolf, E.A.; Diaconu, C.; Dingfelder, J.; Dixon, P.; Dodonov, V.; Dowell, J.D.; Droutskoi, A.; Dubak, A.; Duprel, C.; Eckerlin, Guenter; Eckstein, D.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellerbrock, M.; Elsen, E.; Erdmann, M.; Erdmann, W.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Ferron, S.; Fleischer, M.; Fleischmann, P.; Fleming, Y.H.; Flugge, G.; Fomenko, A.; Foresti, I.; Formanek, J.; Franke, G.; Frising, G.; Gabathuler, E.; Gabathuler, K.; Garvey, J.; Gassner, J.; Gayler, Joerg; Gerhards, R.; Gerlich, C.; Ghazaryan, Samvel; Goerlich, L.; Gogitidze, N.; Grab, C.; Grabski, V.; Grassler, H.; Greenshaw, T.; Grindhammer, Guenter; Hadig, T.; Haidt, D.; Hajduk, L.; Haller, J.; Heinemann, B.; Heinzelmann, G.; Henderson, R.C.W.; Hengstmann, S.; Henschel, H.; Heremans, R.; Herrera, G.; Herynek, I.; Hildebrandt, M.; Hilgers, M.; Hiller, K.H.; Hladky, J.; Hoting, P.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hurling, S.; Ibbotson, M.; Issever, C.; Jacquet, M.; Jaffre, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, C.; Johnson, D.P.; Jones, M.A.S.; Jung, H.; Kant, D.; Kapichine, M.; Karlsson, M.; Karschnick, O.; Katzy, J.; Keil, F.; Keller, N.; Kennedy, J.; Kenyon, I.R.; Kiesling, Christian M.; Kjellberg, P.; Klein, M.; Kleinwort, C.; Kluge, T.; Knies, G.; Koblitz, B.; Kolya, S.D.; Korbel, V.; Kostka, P.; Kotelnikov, S.K.; Koutouev, R.; Koutov, A.; Kroseberg, J.; Kruger, K.; Kuhr, T.; Lamb, D.; Landon, M.P.J.; Lange, W.; Lastovicka, T.; Laycock, P.; Lebailly, E.; Lebedev, A.; Leissner, B.; Lemrani, R.; Lendermann, V.; Levonian, S.; List, B.; Lobodzinska, E.; Lobodzinski, B.; Loginov, A.; Loktionova, N.; Lubimov, V.; Luders, S.; Luke, D.; Lytkin, L.; Malden, N.; Malinovski, E.; Mangano, S.; Maracek, R.; Marage, P.; Marks, J.; Marshall, R.; Martyn, H.U.; Martyniak, J.; Maxfield, S.J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Michine, S.; Mikocki, S.; Milstead, D.; Mohrdieck, S.; Mondragon, M.N.; Moreau, F.; Morozov, A.; Morris, J.V.; Muller, K.; Murin, P.; Nagovizin, V.; Naroska, B.; Naumann, J.; Naumann, T.; Newman, Paul R.; Niebergall, F.; Niebuhr, C.; Nix, O.; Nowak, G.; Nozicka, M.; Olivier, B.; Olsson, J.E.; Ozerov, D.; Panassik, V.; Pascaud, C.; Patel, G.D.; Peez, M.; Perez, E.; Petrukhin, A.; Phillips, J.P.; Pitzl, D.; Poschl, R.; Potachnikova, I.; Povh, B.; Rauschenberger, J.; Reimer, P.; Reisert, B.; Risler, C.; Rizvi, E.; Robmann, P.; Roosen, R.; Rostovtsev, A.; Rusakov, S.; Rybicki, K.; Sankey, D.P.C.; Schatzel, S.; Scheins, J.; Schilling, F.P.; Schleper, P.; Schmidt, D.; Schmidt, S.; Schmitt, S.; Schneider, M.; Schoeffel, L.; Schoning, A.; Schorner, T.; Schroder, V.; Schultz-Coulon, H.C.; Schwanenberger, C.; Sedlak, K.; Sefkow, F.; Chekelian, V.; Sheviakov, I.; Shtarkov, L.N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, Arnd E.; Spitzer, H.; Stamen, R.; Stella, B.; Stiewe, J.; Strauch, I.; Straumann, U.; Tchetchelnitski, S.; Thompson, Graham; Thompson, P.D.; Tomasz, F.; Traynor, D.; Truoel, Peter; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Turney, J.E.; Tzamariudaki, E.; Uraev, A.; Urban, Marcel; Usik, A.; Valkar, S.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Vargas Trevino, A.; Vassiliev, S.; Vazdik, Y.; Veelken, C.; Vest, A.; Vichnevski, A.; Wacker, K.; Wagner, J.; Wallny, R.; Waugh, B.; Weber, G.; Wegener, D.; Werner, C.; Werner, N.; Wessels, M.; White, G.; Wiesand, S.; Wilksen, T.; Winde, M.; Winter, G.G.; Wissing, C.; Wobisch, M.; Woehrling, E.E.; Wunsch, E.; Wyatt, A.C.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhokin, A.; Zomer, F.; zur Nedden, M.

    2002-01-01

    A search for excited electron e* production is described in which the electroweak decays e*->e gamma, e*->e Z and e*->nu W are considered. The data used correspond to an integrated luminosity of 120 pb^(-1) taken in e^(+-)p collisions from 1994 to 2000 with the H1 detector at HERA at centre-of-mass energies of 300 and 318 GeV. No evidence for a signal is found. Mass dependent exclusion limits are derived for the ratio of the couplings to the compositeness scale, f/Lambda. These limits extend the excluded region to higher masses than has been possible in previous direct searches for excited electrons.

  3. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.

    2012-01-01

    –5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first

  4. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  5. Excitonic and electron-hole mechanisms of the creation of Frenkel defect in alkali halides

    International Nuclear Information System (INIS)

    Lushchik, A.; Kirm, M.; Lushchik, Ch.; Vasil'chenko, E.

    2000-01-01

    Excitonic and electron-hole (e-h) mechanisms of stable F centre creation by VUV radiation in alkali halide crystals are discussed. In KCl at 4.2 K, the efficiency of stable F-H pair creation is especially high at the direct optical formation of triplet excitons with n=1. At 200-400 K, the creation processes of stable F centres in KCl are especially efficient at the formation of one-halide exciton in the Urbach tail of an exciton absorption. In KCl and KBr, the decay of a cation exciton (∼20 eV) causes the formation of two e-h pairs, while in NaCl a cation exciton (33.5 eV) decays into two e-h and an anion exciton. An elastic uniaxial stress of a crystal excited by VUV radiation decreases the mean free path of excitons before their self-trapping (KI) and increases the mean free path of hot holes before self-trapping (NaCl)

  6. Excited state electron affinity calculations for aluminum

    Science.gov (United States)

    Hussein, Adnan Yousif

    2017-08-01

    Excited states of negative aluminum ion are reviewed, and calculations of electron affinities of the states (3s^23p^2)^1D and (3s3p^3){^5}{S}° relative to the (3s^23p)^2P° and (3s3p^2)^4P respectively of the neutral aluminum atom are reported in the framework of nonrelativistic configuration interaction (CI) method. A priori selected CI (SCI) with truncation energy error (Bunge in J Chem Phys 125:014107, 2006) and CI by parts (Bunge and Carbó-Dorca in J Chem Phys 125:014108, 2006) are used to approximate the valence nonrelativistic energy. Systematic studies of convergence of electron affinity with respect to the CI excitation level are reported. The calculated value of the electron affinity for ^1D state is 78.675(3) meV. Detailed Calculations on the ^5S°c state reveals that is 1216.8166(3) meV below the ^4P state.

  7. Excitation of lowest electronic states of thymine by slow electrons

    Science.gov (United States)

    Chernyshova, I. V.; Kontros, E. J.; Markush, P. P.; Shpenik, O. B.

    2013-11-01

    Excitation of lowest electronic states of the thymine molecules in the gas phase is studied by elec- tron energy loss spectroscopy. In addition to dipole-allowed transitions to singlet states, transitions to the lowest triplet states were observed. The low-energy features of the spectrum at 3.66 and 4.61 eV are identified with the excitation of the first triplet states 13 A' (π → π*) and 13 A″ ( n → π*). The higher-lying features at 4.96, 5.75, 6.17, and 7.35 eV are assigned mainly to the excitation of the π → π* transitions to the singlet states of the molecule. The excitation dynamics of the lowest states is studied. It is found that the first triplet state 13 A'(π → π*) is most efficiently excited at a residual energy close to zero, while the singlet 21 A'(π → π*) state is excited with almost identical efficiency at different residual energies.

  8. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Webster, R., E-mail: ross.webster07@imperial.ac.uk; Harrison, N. M. [Thomas Young Centre, Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Bernasconi, L. [Rutherford Appleton Laboratory, STFC, Harwell Oxford, Didcot OX11 0QX (United Kingdom)

    2015-06-07

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  9. Compression-Driven Enhancement of Electronic Correlations in Simple Alkali Metals

    Science.gov (United States)

    Fabbris, Gilberto; Lim, Jinhyuk; Veiga, Larissa; Haskel, Daniel; Schilling, James

    2015-03-01

    Alkali metals are the best realization of the nearly free electron model. This scenario appears to change dramatically as the alkalis are subjected to extreme pressure, leading to unexpected properties such as the departure from metallic behavior in Li and Na, and the occurrence of remarkable low-symmetry crystal structures in all alkalis. Although the mechanism behind these phase transitions is currently under debate, these are believed to be electronically driven. In this study the high-pressure electronic and structural ground state of Rb and Cs was investigated through low temperature XANES and XRD measurements combined with ab initio calculations. The results indicate that the pressure-induced localization of the conduction band triggers a Peierls-like mechanism, inducing the low symmetry phases. This localization process is evident by the pressure-driven increase in the number of d electrons, which takes place through strong spd hybridization. These experimental results indicate that compression turns the heavy alkali metals into strongly correlated electron systems. Work at Argonne was supported by DOE No. DE-AC02-06CH11357. Research at Washington University was supported by NSF DMR-1104742 and CDAC/DOE/NNSA DE-FC52-08NA28554.

  10. Electron impact excitation of copper atoms

    International Nuclear Information System (INIS)

    Stumpf, B.J.

    1993-01-01

    The optical excitation function method has been used in a crossed atom and electron beam arrangement to measure the electron impact cross section of the copper 4 2 P → 4 2 S resonance lines (324.8, 327.4 nm) from threshold (3.8 eV) to 8 eV. Relative experimental cross section data are normalized at an energy of 1000 eV with respect to first Born theory that includes the 4 2 S → 4 2 P resonance transition with an oscillator strength of 0.652 and cascading from the (3d 10 nd) 2 D states with n = 4, hor-ellipsis 10. The measured Cu 4 2 S 4 → 4 2 P cross section is compared with recent theoretical calculations in close-coupling approximation. Very good agreement is found with the ten-state close-coupling theory of Scheibner

  11. Electron Impact Excitation-Ionization of Molecules

    Science.gov (United States)

    Ali, Esam Abobakr A.

    In the last few decades, the study of atomic collisions by electron-impact has made significant advances. The most difficult case to study is electron impact ionization of molecules for which many approximations have to be made and the validity of these approximations can only be checked by comparing with experiment. In this thesis, I have examined the Molecular three-body distorted wave (M3DW) or Molecular four-body distorted wave (M4DW) approximations for electron-impact ionization. These models use a fully quantum mechanical approach where all particles are treated quantum mechanically and the post collision interaction (PCI) is treated to all orders of perturbation. These electron impact ionization collisions play central roles in the physics and chemistry of upper atmosphere, biofuel, the operation of discharges and lasers, radiation induced damage in biological material like damage to DNA by secondary electrons, and plasma etching processes. For the M3DW model, I will present results for electron impact single ionization of small molecules such as Water, Ethane, and Carbon Dioxide and the much larger molecules Tetrahydrofuran, phenol, furfural, 1-4 Benzoquinone. I will also present results for the four-body problem in which there are two target electrons involved in the collision. M4DW results will be presented for dissociative excitation-ionization of orientated D2. I will show that M4DW calculations using a variational wave function for the ground state that included s- and p- orbital states give better agreement to the experimental measurements than a ground state approximated as a product of two 1s-type Dyson orbitals.

  12. Quantification of the boron speciation in alkali borosilicate glasses by electron energy loss spectroscopy

    DEFF Research Database (Denmark)

    Cheng, D.S.; Yang, G.; Zhao, Y.Q.

    2015-01-01

    developed a method based on electron energy loss spectroscopy (EELS) data acquisition and analyses, which enables determination of the boron speciation in a series of ternary alkali borosilicate glasses with constant molar ratios. A script for the fast acquisition of EELS has been designed, from which...

  13. The electronic structure of the F-center in alkali-halides-The Bethe cluster - lattice

    International Nuclear Information System (INIS)

    Queiroz, S.L.A. de.

    1977-07-01

    The electronic structure of the F-center in alkali-halides with the NaCl structure has been studied using the Bethe Cluster lattice method. The central cluster has been taken as constituted by the vacancy and the nearest- and second-neighbors to it, respectively cations and anions. The optical transitions have been calculated and compared to experimental data on the location of the peak of the F-absorption band. The agreement obtained indicates that this method may be used to study properties of this defect in alkali halides. (Author) [pt

  14. Calculation of nuclear excitation in an electron transition

    Energy Technology Data Exchange (ETDEWEB)

    Pisk, K. (Institut Rudjer Boskovic, Zagreb (Yugoslavia)); Kaliman, Z. (Rijeka Univ. (Yugoslavia). Faculty of Pedagogics); Logan, B.A. (Ottawa Univ., ON (Canada). Ottawa-Carleton Centre for Physics)

    1989-11-06

    We have made a theoretical investigation of nuclear excitation during an electron transition (NEET). Our approach allows us to express the NEET probabilities in terms of the excited nuclear level width, the energy difference between the nuclear and electron transition, the Coulomb interaction between the initial electron states, and the electron level width. A comparison is made with the available experimental results. (orig.).

  15. Well-ordered monolayers of alkali-doped coronene and picene: Molecular arrangements and electronic structures

    Energy Technology Data Exchange (ETDEWEB)

    Yano, M.; Endo, M.; Hasegawa, Y.; Okada, R.; Yamada, Y., E-mail: yamada@bk.tsukuba.ac.jp; Sasaki, M. [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

    2014-07-21

    Adsorptions of alkali metals (such as K and Li) on monolayers of coronene and picene realize the formation of ordered phases, which serve as well-defined model systems for metal-intercalated aromatic superconductors. Upon alkali-doping of the monolayers of coronene and picene, scanning tunneling microscopy and X-ray absorption spectroscopy revealed the rearrangement of the entire molecular layer. The K-induced reconstruction of both monolayers resulted in the formation of a structure with a herringbone-like arrangement of molecules, suggesting the intercalation of alkali metals between molecular planes. Upon reconstruction, a shift in both the vacuum level and core levels of coronene was observed as a result of a charge transfer from alkali metals to coronene. In addition, a new density of states near the Fermi level was formed in both the doped coronene and the doped picene monolayers. This characteristic electronic feature of the ordered monolayer has been also reported in the multilayer picene films, ensuring that the present monolayer can model the properties of the metal-intercalated aromatic hydrocarbons. It is suggested that the electronic structure near the Fermi level is sensitive to the molecular arrangement, and that both the strict control and determinations of the molecular structure in the doped phase should be important for the determination of the electronic structure of these materials.

  16. Electron impact ionization-excitation of Helium

    Science.gov (United States)

    Ancarani, Lorenzo Ugo; Gomez, A. I.; Gasaneo, G.; Mitnik, D. M.; Ambrosio, M. J.

    2016-09-01

    We calculate triple differential cross sections (TDCS) for the process of ionization-excitation of Helium by fast electron impact in which the residual ion is left in the n =2 excited state. We chose the strongly asymmetric kinematics used in the experiment performed by Dupré et al.. In a perturbative scheme, for high projectile energies the four-body problem reduces to a three-body one and, within that framework, we solve the time- independent Schrödinger equation with a Sturmian approach. The method, based on Generalized Sturmian Functions (GSF), is employed to obtain the initial ground state of Helium, the single-continuum state and the scattering wave function; for each of them, the GSF basis is constructed with the corresponding adequate asymptotic conditions. Besides, the method presents the following advantage: the scattering amplitudes can be extracted directly in the asymptotic region of the scattering solution, and thus the TDCS can be obtained without requiring a matrix element evaluation.

  17. Collective electronic excitations in C60 crystals

    International Nuclear Information System (INIS)

    Wu, X.; Ulloa, S.E.

    1994-01-01

    We present a theoretical study of the electronic excitations in fullerene crystals by calculating the density-density correlation function in a fully nonlocal linear response theory. Our results indicate that the collective features associates with the π→π * transitions show strong anisotropic properties, with peaks changing by as much as 0.7 eV in different directions. Meanwhile, the calculated mode dispersion exhibits rather weak wave-number dependence along a given direction, in general agreement with experimental results. The oscillator strength also shows anisotropic behavior, with significant weight redistribution for different directions. We also analyze this system in terms of a classical point-dipole array model, and show that this simple model approximates well the quantum results

  18. Production and Decay of Excited Electrons at the LHC

    CERN Document Server

    Cakir, O; Mehdiyev, R; Belyaev, A

    2004-01-01

    We study single production of excited electrons at the CERN LHC through contact interactions of fermions. Subsequent decays of excited electrons to ordinary electrons and light fermions via gauge and contact interactions are examined. The mass range accessible with the ATLAS detector is obtained.

  19. Electron affinity and excited states of methylglyoxal

    Science.gov (United States)

    Dauletyarov, Yerbolat; Dixon, Andrew R.; Wallace, Adam A.; Sanov, Andrei

    2017-07-01

    Using photoelectron imaging spectroscopy, we characterized the anion of methylglyoxal (X2A″ electronic state) and three lowest electronic states of the neutral methylglyoxal molecule: the closed-shell singlet ground state (X1A'), the lowest triplet state (a3A″), and the open-shell singlet state (A1A″). The adiabatic electron affinity (EA) of the ground state, EA(X1A') = 0.87(1) eV, spectroscopically determined for the first time, compares to 1.10(2) eV for unsubstituted glyoxal. The EAs (adiabatic attachment energies) of two excited states of methylglyoxal were also determined: EA(a3A″) = 3.27(2) eV and EA(A1A″) = 3.614(9) eV. The photodetachment of the anion to each of these two states produces the neutral species near the respective structural equilibria; hence, the a3A″ ← X2A″ and A1A″ ← X2A″ photodetachment transitions are dominated by intense peaks at their respective origins. The lowest-energy photodetachment transition, on the other hand, involves significant geometry relaxation in the X1A' state, which corresponds to a 60° internal rotation of the methyl group, compared to the anion structure. Accordingly, the X1A' ← X2A″ transition is characterized as a broad, congested band, whose vertical detachment energy, VDE = 1.20(4) eV, significantly exceeds the adiabatic EA. The experimental results are in excellent agreement with the ab initio predictions using several equation-of-motion methodologies, combined with coupled-cluster theory.

  20. Electronic excitations in fast ion-solid collisions

    International Nuclear Information System (INIS)

    Burgdoerfer, J.

    1990-01-01

    We review recent developments in the study of electronic excitation of projectiles in fast ion-solid collisions. Our focus will be primarily on theory but experimental advances will also be discussed. Topics include the evidence for velocity-dependent thresholds for the existence of bound states, wake-field effects on excited states, the electronic excitation of channeled projectiles, transport phenomena, and the interaction of highly charged ions with surfaces. 44 refs., 14 figs

  1. Search for Excited Electrons in ep Collisions at HERA

    CERN Document Server

    Aaron, F.D.; Andreev, V.; Antunovic, B.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Bacchetta, A.; Backovic, S.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Beckingham, M.; Begzsuren, K.; Behnke, O.; Belousov, A.; Berger, N.; Bizot, J.C.; Boenig, M.-O.; Boudry, V.; Bozovic-Jelisavcic, I.; Bracinik, J.; Brandt, G.; Brinkmann, M.; Brisson, V.; Bruncko, D.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Cantun Avila, K.B.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Cholewa, A.; Contreras, J.G.; Coughlan, J.A.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Daum, K.; Deak, M.; de Boer, Y.; Delcourt, B.; Del Degan, M.; Delvax, J.; De Roeck, A.; De Wolf, E.A.; Diaconu, C.; Dodonov, V.; Dossanov, A.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eliseev, A.; Elsen, E.; Essenov, S.; Falkiewicz, A.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Finke, L.; Fleischer, M.; Fomenko, A.; Gabathuler, E.; Gayler, J.; Ghazaryan, Samvel; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gouzevitch, M.; Grab, C.; Greenshaw, T.; Grell, B.R.; Grindhammer, G.; Habib, S.; Haidt, D.; Hansson, M.; Helebrant, C.; Henderson, R.C.W.; Henschel, H.; Herrera, G.; Hildebrandt, M.; Hiller, K.H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hreus, T.; Jacquet, M.; Janssen, M.E.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, D.P.; Jung, Andreas Werner; Jung, H.; Kapichine, M.; Katzy, J.; Kenyon, I.R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knutsson, A.; Kogler, R.; Korbel, V.; Kostka, P.; Kraemer, M.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Kruger, K.; Kutak, K.; Landon, M.P.J.; Lange, W.; Lastovicka-Medin, G.; Laycock, P.; Lebedev, A.; Leibenguth, G.; Lendermann, V.; Levonian, S.; Li, G.; Lipka, K.; Liptaj, A.; List, B.; List, J.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.-I.; Lytkin, L.; Makankine, A.; Malinovski, E.; Marage, P.; Marti, Ll.; Martyn, H.-U.; Maxfield, S.J.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, H.; Meyer, J.; Michels, V.; Mikocki, S.; Milcewicz-Mika, I.; Moreau, F.; Morozov, A.; Morris, J.V.; Mozer, Matthias Ulrich; Mudrinic, M.; Muller, K.; Murin, P.; Nankov, K.; Naroska, B.; Naumann, Th.; Newman, Paul R.; Niebuhr, C.; Nikiforov, A.; Nowak, G.; Nowak, K.; Nozicka, M.; Olivier, B.; Olsson, J.E.; Osman, S.; Ozerov, D.; Palichik, V.; Panagoulias, I.; Pandurovic, M.; Papadopoulou, Th.; Pascaud, C.; Patel, G.D.; Pejchal, O.; Peng, H.; Perez, E.; Petrukhin, A.; Picuric, I.; Piec, S.; Pitzl, D.; Placakyte, R.; Polifka, R.; Povh, B.; Preda, T.; Radescu, V.; Rahmat, A.J.; Raicevic, N.; Raspiareza, A.; Ravdandorj, T.; Reimer, P.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rotaru, M.; Ruiz Tabasco, J.E.; Rurikova, Z.; Rusakov, S.; Salek, D.; Salvaire, F.; Sankey, D.P.C.; Sauter, M.; Sauvan, E.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schoning, A.; Schultz-Coulon, H.-C.; Sefkow, F.; Shaw-West, R.N.; Sheviakov, I.; Shtarkov, L.N.; Shushkevich, S.; Sloan, T.; Smiljanic, Ivan; Smirnov, P.; Soloviev, Y.; Sopicki, P.; South, D.; Spaskov, V.; Specka, Arnd E.; Staykova, Z.; Steder, M.; Stella, B.; Straumann, U.; Sunar, D.; Sykora, T.; Tchoulakov, V.; Thompson, G.; Thompson, P.D.; Toll, T.; Tomasz, F.; Tran, T.H.; Traynor, D.; Trinh, T.N.; Truol, P.; Tsakov, I.; Tseepeldorj, B.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, K.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Vargas Trevino, A.; Vazdik, Y.; Vinokurova, S.; Volchinski, V.; Wegener, D.; Wessels, M.; Wissing, Ch.; Wunsch, E.; Yeganov, V.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zhu, Y.C.; Zimmermann, T.; Zohrabyan, H.; Zomer, F.

    2008-01-01

    A search for excited electrons is performed using the full $e^{\\pm}p$ data sample collected by the H1 experiment at HERA, corresponding to a total luminosity of 475 pb$^{-1}$. The electroweak decays of excited electrons ${e}^{*}\\to{e}{\\gamma}$, ${e}^{*}\\to{e}Z$ and ${e}^{*}{\\to}\

  2. Impulse approximation treatment of electron-electron excitation and ionization in energetic ion-atom collisions

    International Nuclear Information System (INIS)

    Zouros, T.J.M.; Lee, D.H.; Sanders, J.M.; Richard, P.

    1993-01-01

    The effect of electron-electron interactions between projectile and target electrons observed in recent measurements of projectile K-shell excitation and ionization using 0 projectile Auger electron spectroscopy are analysed within the framework of the impulse approximation (IA). The IA formulation is seen to give a good account of the threshold behavior of both ionization and excitation, while providing a remarkably simple intuitive picture of such electron-electron interactions in ion-atom collisions in general. Thus, the applicability of the IA treatment is extended to cover most known processes involving such interactions including resonance transfer excitation, binary encounter electron production, electron-electron excitation and ionization. (orig.)

  3. Cold electron beams from cryocooled, alkali antimonide photocathodes

    Directory of Open Access Journals (Sweden)

    L. Cultrera

    2015-11-01

    Full Text Available In this paper we report on the generation of cold electron beams using a Cs_{3}Sb photocathode grown by codeposition of Sb and Cs. By cooling the photocathode to 90 K we demonstrate a significant reduction in the mean transverse energy validating the long-standing speculation that the lattice temperature contributes to limiting the mean transverse energy or intrinsic emittance near the photoemission threshold, opening new frontiers in generating ultrabright beams. At 90 K, we achieve a record low intrinsic emittance of 0.2  μm (rms per mm of laser spot diameter from an ultrafast (subpicosecond photocathode with quantum efficiency greater than 7×10^{−5} using a visible laser wavelength of 690 nm.

  4. Radiation damage in nonmetallic solids under dense electronic excitation

    International Nuclear Information System (INIS)

    Itoh, Noriaki; Tanimura, Katsumi; Nakai, Yasuo

    1992-01-01

    Basic processes of radiation damage of insulators by dense electronic excitation are reviewed. First it is pointed out that electronic excitation of nonmetallic solids produces the self-trapped excitons and defect-related metastable states having relatively long lifetimes, and that the excitation of these metastable states, produces stable defects. The effects of irradiation with heavy ions, including track registration, are surveyed on the basis of the microscopic studies. It is pointed out also that the excitation of the metastable states plays a role in laser-induced damage at relatively low fluences, while the laser damage has been reported to be governed by heating of free electrons produced by multiphoton excitation. Difference in the contributions of the excitation of metastable defects to laser-induced damage of surfaces, or laser ablation, and laser-induced bulk damage is stressed. (orig.)

  5. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tsung-Lung, E-mail: quantum@mail.ncyu.edu.tw [Department of Electrophysics, National Chia-Yi University, 300 Hsueh-Fu Road, Chiayi, 60004, Taiwan, ROC (China); Lu, Wen-Cai, E-mail: wencailu@jlu.edu.cn [Laboratory of Fiber Materials and Modern Textile, Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao, Shandong 266071 (China); State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021 (China)

    2016-11-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li{sub 1} Rub and Na{sub 1} Rub) isomers are investigated and compared with monopotassium-rubrene (K{sub 1} Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li{sub 1} Rub and Na{sub 1} Rub are intercalated structures, whereas the minimum-energy K{sub 1} Rub is adsorbed. The fact that the intercalated Li{sub 1} Rub and Na{sub 1} Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li{sub 1} Rub/Na{sub 1} Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K{sub 1} Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li{sub 1} Rub/Na{sub 1} Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of

  6. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    International Nuclear Information System (INIS)

    Li, Tsung-Lung; Lu, Wen-Cai

    2016-01-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li 1 Rub and Na 1 Rub) isomers are investigated and compared with monopotassium-rubrene (K 1 Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li 1 Rub and Na 1 Rub are intercalated structures, whereas the minimum-energy K 1 Rub is adsorbed. The fact that the intercalated Li 1 Rub and Na 1 Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li 1 Rub/Na 1 Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K 1 Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li 1 Rub/Na 1 Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of distributing over the central two fused rings than over the outer two

  7. Electron transfer from electronic excited states to sub-vacuum electron traps in amorphous ice

    International Nuclear Information System (INIS)

    Vichnevetski, E.; Bass, A.D.; Sanche, L.

    2000-01-01

    We investigate the electron stimulated yield of electronically excited argon atoms (Ar * ) from monolayer quantities of Ar deposited onto thin films of amorphous ice. Two peaks of narrow width ( - electron-exciton complex into exciton states, by the transfer of an electron into a sub-vacuum electron state within the ice film. However, the 10.7 eV feature is shifted to lower energy since electron attachment to Ar occurs within small pores of amorphous ice. In this case, the excess electron is transferred into an electron trap below the conduction band of the ice layer

  8. Search for excited charged leptons in electron positron collisions

    CERN Document Server

    Vachon, Brigitte Marie Christine; Sobie, Randall

    2002-01-01

    A search for evidence that fundamental particles are made of smaller subconstituents is performed. The existence of excited states of fundamental particles would be an unambiguous indication of their composite nature. Experimental signatures compatible with the production of excited states of charged leptons in electron-positron collisions are studied. The data analysed were collected by the OPAL detector at the LEP collider. No evidence for the existence of excited states of charged leptons was found. Upper limits on the product of the cross-section and the electromagnetic branching fraction are inferred. Using results from the search for singly produced excited leptons, upper limits on the ratio of the excited lepton coupling constant to the compositeness scale are calculated. From pair production searches, 95% confidence level lower limits on the masses of excited electrons, muons and taus are determined to be 103.2 GeV.

  9. Multiply excited molecules produced by photon and electron interactions

    International Nuclear Information System (INIS)

    Odagiri, T.; Kouchi, N.

    2006-01-01

    The photon and electron interactions with molecules resulting in the formation of multiply excited molecules and the subsequent decay are subjects of great interest because the independent electron model and Born-Oppenheimer approximation are much less reliable for the multiply excited states of molecules than for the ground and lower excited electronic states. We have three methods to observe and investigate multiply excited molecules: 1) Measurements of the cross sections for the emission of fluorescence emitted by neutral fragments in the photoexcitation of molecules as a function of incident photon energy [1-3], 2) Measurements of the electron energy-loss spectra tagged with the fluorescence photons emitted by neutral fragments [4], 3) Measurements of the cross sections for generating a pair of photons in absorption of a single photon by a molecule as a function of incident photon energy [5-7]. Multiply excited states degenerate with ionization continua, which make a large contribution in the cross section curve involving ionization processes. The key point of our methods is hence that we measure cross sections free from ionization. The feature of multiply excited states is noticeable in such a cross section curve. Recently we have measured: i) the cross sections for the emission of the Lyman- fluorescence in the photoexcitation of CH 4 as a function of incident photon energy in the range 18-51 eV, ii) the electron energy-loss spectrum of CH 4 tagged with the Lyman-photons at 80 eV incident electron energy and 10 electron scattering angle in the range of the energy loss 20-45 eV, in order to understand the formation and decay of the doubly excited methane in photon and electron interactions. [8] The results are summarized in this paper and the simultaneous excitation of two electrons by electron interaction is compared with that by photon interaction in terms of the oscillator strength. (authors)

  10. Vibrational excitation of D2 by low energy electrons

    International Nuclear Information System (INIS)

    Buckman, S.J.; Phelps, A.V.

    1985-01-01

    Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

  11. Electronic excitation in ion-atom collisions

    International Nuclear Information System (INIS)

    Rodriguez, V.D.; Miraglia, J.E.

    1988-01-01

    Theoretical calculations for excitation of hydrogen-like atoms by ion impact at high and intermediate energies, are presented. Impulsive and eikonal wave functions are employed, both normalized. It is studied the dependence on energy and projectil charge (saturation) of cross sections, compared to experimental results. (A.C.A.S.) [pt

  12. Composite model describing the excitation and de-excitation of nitrogen by an electron beam

    International Nuclear Information System (INIS)

    Kassem, A.E.; Hickman, R.S.

    1975-01-01

    Based on recent studies, the effect of re-excited ions in the emission of electron beam induced fluorescence in nitrogen has been estimated. These effects are included in the formulation of a composite model describing the excitation and de-excitation of nitrogen by an electron beam. The shortcomings of previous models, namely the dependence of the measured temperature on true gas temperature as well as the gas density, are almost completely eliminated in the range of temperatures and densities covered by the available data. (auth)

  13. Electron impact excitation and ionization of laser-excited sodium atoms Na*(7d)

    International Nuclear Information System (INIS)

    Nienhaus, J.; Dorn, A.; Mehlhorn, W.; Zatsarinny, O.I.

    1997-01-01

    We have investigated the ejected-electron spectrum following impact excitation and ionization of laser-excited Na * (nl) atoms by 1.5 keV electrons. By means of two-laser excitation 3s → 3p 3/2 → 7d and subsequent cascading transitions about 8% (4%) of the target atoms were in excited states with n > 3 (7d). The experimental ejected-electron spectrum due to the decay of Auger and autoionization states of laser-excited atoms Na * (nl) with n = 4-7 has been fully interpreted by comprehensive calculations of the energies, cross sections and decay probabilities of the corresponding states. The various processes contributing to the ejected-electron spectrum are with decreasing magnitude: 2s ionization leading to 2s2p 6 nl Auger states, 2p → 3s excitation leading to 2p 5 3s( 1 P)nl autoionization states and 2s → 3l' excitation leading to 2s2p 6 3l'( 1 L)nl autoionization states. (Author)

  14. Search for excited electrons in ep collisions at HERA

    Science.gov (United States)

    H1 Collaboration; Aaron, F. D.; Alexa, C.; Andreev, V.; Antunovic, B.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Bacchetta, A.; Backovic, S.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Beckingham, M.; Begzsuren, K.; Behnke, O.; Belousov, A.; Berger, N.; Bizot, J. C.; Boenig, M.-O.; Boudry, V.; Bozovic-Jelisavcic, I.; Bracinik, J.; Brandt, G.; Brinkmann, M.; Brisson, V.; Bruncko, D.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A. J.; Cantun Avila, K. B.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Cholewa, A.; Contreras, J. G.; Coughlan, J. A.; Cozzika, G.; Cvach, J.; Dainton, J. B.; Daum, K.; Deák, M.; de Boer, Y.; Delcourt, B.; Del Degan, M.; Delvax, J.; de Roeck, A.; de Wolf, E. A.; Diaconu, C.; Dodonov, V.; Dossanov, A.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eliseev, A.; Elsen, E.; Essenov, S.; Falkiewicz, A.; Faulkner, P. J. W.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Finke, L.; Fleischer, M.; Fomenko, A.; Gabathuler, E.; Gayler, J.; Ghazaryan, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gouzevitch, M.; Grab, C.; Greenshaw, T.; Grell, B. R.; Grindhammer, G.; Habib, S.; Haidt, D.; Hansson, M.; Helebrant, C.; Henderson, R. C. W.; Henschel, H.; Herrera, G.; Hildebrandt, M.; Hiller, K. H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hreus, T.; Jacquet, M.; Janssen, M. E.; Janssen, X.; Jemanov, V.; Jönsson, L.; Johnson, D. P.; Jung, A. W.; Jung, H.; Kapichine, M.; Katzy, J.; Kenyon, I. R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knutsson, A.; Kogler, R.; Korbel, V.; Kostka, P.; Kraemer, M.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Krüger, K.; Kutak, K.; Landon, M. P. J.; Lange, W.; Laštovička-Medin, G.; Laycock, P.; Lebedev, A.; Leibenguth, G.; Lendermann, V.; Levonian, S.; Li, G.; Lipka, K.; Liptaj, A.; List, B.; List, J.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.-I.; Lytkin, L.; Makankine, A.; Malinovski, E.; Marage, P.; Marti, Ll.; Martyn, H.-U.; Maxfield, S. J.; Mehta, A.; Meier, K.; Meyer, A. B.; Meyer, H.; Meyer, H.; Meyer, J.; Michels, V.; Mikocki, S.; Milcewicz-Mika, I.; Moreau, F.; Morozov, A.; Morris, J. V.; Mozer, M. U.; Mudrinic, M.; Müller, K.; Murín, P.; Nankov, K.; Naroska, B.; Naumann, Th.; Newman, P. R.; Niebuhr, C.; Nikiforov, A.; Nowak, G.; Nowak, K.; Nozicka, M.; Olivier, B.; Olsson, J. E.; Osman, S.; Ozerov, D.; Palichik, V.; Panagoulias, I.; Pandurovic, M.; Papadopoulou, Th.; Pascaud, C.; Patel, G. D.; Pejchal, O.; Peng, H.; Perez, E.; Petrukhin, A.; Picuric, I.; Piec, S.; Pitzl, D.; Plačakytė, R.; Polifka, R.; Povh, B.; Preda, T.; Radescu, V.; Rahmat, A. J.; Raicevic, N.; Raspiareza, A.; Ravdandorj, T.; Reimer, P.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rotaru, M.; Ruiz Tabasco, J. E.; Rurikova, Z.; Rusakov, S.; Salek, D.; Salvaire, F.; Sankey, D. P. C.; Sauter, M.; Sauvan, E.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schöning, A.; Schultz-Coulon, H.-C.; Sefkow, F.; Shaw-West, R. N.; Sheviakov, I.; Shtarkov, L. N.; Shushkevich, S.; Sloan, T.; Smiljanic, I.; Smirnov, P.; Soloviev, Y.; Sopicki, P.; South, D.; Spaskov, V.; Specka, A.; Staykova, Z.; Steder, M.; Stella, B.; Straumann, U.; Sunar, D.; Sykora, T.; Tchoulakov, V.; Thompson, G.; Thompson, P. D.; Toll, T.; Tomasz, F.; Tran, T. H.; Traynor, D.; Trinh, T. N.; Truöl, P.; Tsakov, I.; Tseepeldorj, B.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, K.; Valkárová, A.; Vallée, C.; van Mechelen, P.; Vargas Trevino, A.; Vazdik, Y.; Vinokurova, S.; Volchinski, V.; Wegener, D.; Wessels, M.; Wissing, Ch.; Wünsch, E.; Yeganov, V.; Žáček, J.; Zálešák, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zhu, Y. C.; Zimmermann, T.; Zohrabyan, H.; Zomer, F.

    2008-08-01

    A search for excited electrons is performed using the full ep data sample collected by the H1 experiment at HERA, corresponding to a total luminosity of 475 pb-1. The electroweak decays of excited electrons e→eγ, e→eZ and e→νW with subsequent hadronic or leptonic decays of the W and Z bosons are considered. No evidence for excited electron production is found. Mass dependent exclusion limits on e production cross sections and on the ratio f/Λ of the coupling to the compositeness scale are derived within gauge mediated models. These limits extend the excluded region compared to previous excited electron searches. The e production via contact interactions is also addressed for the first time in ep collisions.

  15. 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.

  16. Theory of nuclear excitation by electron capture for heavy ions

    International Nuclear Information System (INIS)

    Palffy, Adriana; Scheid, Werner; Harman, Zoltan

    2006-01-01

    We investigate the resonant process of nuclear excitation by electron capture (NEEC), in which a continuum electron is captured into a bound state of an ion with the simultaneous excitation of the nucleus. In order to derive the cross section a Feshbach projection operator formalism is introduced. Nuclear states and transitions are described by a nuclear collective model and making use of experimental data. Transition rates and total cross sections for NEEC followed by the radiative decay of the excited nucleus are calculated for various heavy-ion collision systems

  17. Double-electron excitation above Xe K-edge

    International Nuclear Information System (INIS)

    Ito, Y.; Tochio, T.; Vlaicu, A.M.; Mutaguchi, K.; OhHashi, H.; Shigeoka, N.; Nakata, Y.; Akahama, Y.; Uruga, T.; Emura, Sh.

    2000-01-01

    When X-rays fall on any substance, whether solid, liquid, or gaseous, a photoabsorption occurs. Photoabsorption in atoms has been generally treated as a single-electron excitation process. However, the existence of the multi-electron excitation process, where the removal of a core electron by photoabsorption causes excitation of additional electrons in the same atoms, has been known in x-ray absorption spectra for a long time. In x-ray absorption spectra, experimental investigations of the shake processes in inner-shell ionization phenomena have been performed by detecting discontinuities. The shake effect which is a consequence of rearrangement of the atomic electrons, occurs in association with inner-shell excitation and ionization phenomena in x-ray absorption. The shake process has been studied extensively in various gases, because it is usually considered that the measurement of the multi-electron excitation is only possible for monatomic gases or vapors. The x-ray absorption spectra in Kr gas were measured by Ito et al. in order to observe precisely x-ray absorption spectra and to investigate the multi-electron excitation cross sections in Kr as a function of photon energy using synchrotron radiation. However, no suitable measured K x-ray absorption spectra was available to elucidate the shake processes. In the present work, the photoabsorption cross sections in Xe have been precisely measured in order to determine the features on the shake processes resulting from multiple electron excitations as a function of photon energy. Double-electron transitions of [1s4d], [1s4p], [1s4s], and [1s3d] are first detected. (author)

  18. Electron capture in proton collisions with alkali atoms as a three-body problem

    International Nuclear Information System (INIS)

    Avakov, G.V.; Blokhintsev, L.D.; Kadyrov, A.S.; Mukhamedzhanov, A.M.

    1992-01-01

    A previous paper proposed an approach to the calculation of electron transfer reactions in ion-atomic collisions based on the Faddeev three-body equations written in the Alt-Grassberger-Sandhas form. In the present work this approach is used to describe the electron capture in proton collisions with alkali atoms. The results of calculation of the total and partial cross sections for charge exchange in proton collisions with Li, Na, K and Rb atoms are presented. The calculated total cross sections are in good agreement with experiment for light target atoms. In going over to heavier targets, the theoretical total cross sections, while agreeing in form, tend to be larger than the experimental ones. The calculated partial cross sections for electron capture into the 2s state of the H atom are also in agreement with experiment. Some other partial cross sections were also calculated. (author)

  19. Theory of electronic excitations: a complex story

    International Nuclear Information System (INIS)

    Reinig, L.

    2014-01-01

    The interaction of radiation with matter is a challenge for condensed matter physics. Indeed, it consists in understanding how a collective system of about 10 23 electrons reacts to a perturbation. The difficulty lays in the fact that the electrons are not independent and the correlations between electrons appear for instance in the complexity of the energy spectra of the electrons released in the photon-induced emission process. It is unrealistic to solve the multi-particle Schroedinger equation that describes the behaviour of 10 23 electrons, the challenge is to find adequate mathematical models and approximations that contains the physics we want to study. Feynman diagrams are used to interpret the equations more easily

  20. Direct conversion of graphite into diamond through electronic excited states

    CERN Document Server

    Nakayama, H

    2003-01-01

    An ab initio total energy calculation has been performed for electronic excited states in diamond and rhombohedral graphite by the full-potential linearized augmented plane wave method within the framework of the local density approximation (LDA). First, calculations for the core-excited state in diamond have been performed to show that the ab initio calculations based on the LDA describe the wavefunctions in the electronic excited states as well as in the ground state quite well. Fairly good coincidence with both experimental data and theoretical prediction has been obtained for the lattice relaxation of the core exciton state. The results of the core exciton state are compared with nitrogen-doped diamond. Next, the structural stability of rhombohedral graphite has been investigated to examine the possibility of the transition into the diamond structure through electronic excited states. While maintaining the rhombohedral symmetry, rhombohedral graphite can be spontaneously transformed to cubic diamond. Tota...

  1. Electronic-excitation energy transfer in heterogeneous dye solutions under laser excitation

    International Nuclear Information System (INIS)

    Levshin, L.V.; Mukushev, B.T.; Saletskii, A.M.

    1995-01-01

    An experimental study has been made of electronic-excitation energy transfer (EEET) among dye molecules of different types for different exciting-fight wavelengths and temperatures. Upon selective laser excitation of the donor, the inhomogeneous broadening of molecular levels increases the probability of EEET from the donor to acceptor molecules. The efficiency of this process is directly proportional to the acceptor molecule concentration and is temperature dependent. The EEET is accompanied by the spectral migration of energy among donor molecules, which reduces the fluorescence quantum efficiency of the donor. Increasing the frequency of the exciting light decreases in the donor fluorescence quantum efficiency. An increase in the acceptor molecule concentration results in a decrease of the spectral migration of excitation in the donor molecule system. 5 refs., 5 figs

  2. Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections

    Energy Technology Data Exchange (ETDEWEB)

    Országh, Juraj; Danko, Marián; Čechvala, Peter; Matejčík, Štefan, E-mail: matejcik@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Mlynská dolina F-2, 842 48 Bratislava (Slovakia)

    2017-05-20

    The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190–660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines (hydrogen Balmer series, carbon) and molecular bands (CH(A–X), CH(B–X), CH{sup +}(B–A), and C{sub 2}). Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C{sub 2}H(A–X). For most important lines and bands of the spectrum we have measured absolute excitation-emission cross sections and determined the energy thresholds of the particular dissociative channels.

  3. Ultrafast electron diffraction studies of optically excited thin bismuth films

    International Nuclear Information System (INIS)

    Rajkovic, Ivan

    2008-01-01

    This thesis contains work on the design and the realization of an experimental setup capable of providing sub-picosecond electron pulses for ultrafast electron diffraction experiments, and performing the study of ultrafast dynamics in bismuth after optical excitation using this setup. (orig.)

  4. Excited baryon program at the Bonn electron stretcher accelerator ELSA

    International Nuclear Information System (INIS)

    Menze, D.

    1989-01-01

    The Bonn electron stretcher accelerator ELSA is the first of a new generation of continuous beam machines in the GeV region. It is qualified for experiments with tagged photons and with polarized electrons on polarized nucleons to investigate the electromagnetic properties of excited baryon resonances

  5. Ultrafast electron diffraction studies of optically excited thin bismuth films

    Energy Technology Data Exchange (ETDEWEB)

    Rajkovic, Ivan

    2008-10-21

    This thesis contains work on the design and the realization of an experimental setup capable of providing sub-picosecond electron pulses for ultrafast electron diffraction experiments, and performing the study of ultrafast dynamics in bismuth after optical excitation using this setup. (orig.)

  6. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.

    Science.gov (United States)

    Li, H; Aquino, A J A; Cordes, D B; Hase, W L; Krempner, C

    2017-02-01

    Zwitterionic group 14 complexes of the alkali metals of formula [C(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 1 ), [Si(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 2 ), [Ge(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 3 ), where M = Li, Na or K, have been prepared, structurally characterized and their electronic nature was investigated by computational methods. Zwitterions M- 2 and M- 3 were synthesized via reactions of [Si(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 2 ) and [Ge(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 3 ) with MOBu t (M = Li, Na or K), resp., in almost quantitative yields, while M- 1 were prepared from deprotonation of [HC(SiMe 2 OCH 2 CH 2 OMe) 3 ] ( 1 ) with LiBu t , NaCH 2 Ph and KCH 2 Ph, resp. X-ray crystallographic studies and DFT calculations in the gas-phase, including calculations of the NPA charges confirm the zwitterionic nature of these compounds, with the alkali metal cations being rigidly locked and charge separated from the anion by the internal OCH 2 CH 2 OMe donor groups. Natural bond orbital (NBO) analysis and the second order perturbation theory analysis of the NBOs reveal significant hyperconjugative interactions in M- 1 -M- 3 , primarily between the lone pair and the antibonding Si-O orbitals, the extent of which decreases in the order M- 1 > M- 2 > M- 3 . The experimental basicities and the calculated gas-phase basicities of M- 1 -M- 3 reveal the zwitterionic alkali metal methanides M- 1 to be significantly stronger bases than the analogous silanides M- 2 and germanium M- 3 .

  7. Search for excited electrons using the ZEUS detector

    International Nuclear Information System (INIS)

    Derrick, M.; Krakauer, D.; Magill, S.

    1993-06-01

    This paper reports a search for excited electrons at the HERA electron-proton collider. In a sample corresponding to an integrated luminosity of 26 nb -1 , no evidence was found for any resonant state decaying into e - γ, νW - or e - Z 0 . Limits on the coupling strength of an excited electron have been determined for masses between 45 and 225 GeV. This study also reports the observation of the wide-angle eγ Compton scattering process. (orig.)

  8. Ab Initio molecular dynamics with excited electrons

    NARCIS (Netherlands)

    Alavi, A.; Kohanoff, J.; Parrinello, M.; Frenkel, D.

    1994-01-01

    A method to do ab initio molecular dynamics suitable for metallic and electronically hot systems is described. It is based on a density functional which is costationary with the finite-temperature functional of Mermin, with state being included with possibly fractional occupation numbers.

  9. An Exciting Aspect of Nanotechnology: Unimolecular Electronics

    Directory of Open Access Journals (Sweden)

    Metzger R. M.

    2013-08-01

    Full Text Available This is a brief update on our experimental work towards better one-molecule-thick monolayer rectifiers of electrical current, and on theoretical progress towards a one-molecule amplifier of electrical current. This program aims to provide electronic devices at the 2 to 3 nm level, as a dramatic advance towards practical integrated circuits of the future.

  10. Electron transfer, ionization, and excitation atomic collisions

    International Nuclear Information System (INIS)

    Winter, T.G.; Alston, S.G.

    1990-01-01

    Basic atomic-collision processes at intermediate and high energies are being studied theoretically at Penn State by Alston and Winter. In the high velocity regime, single-electron capture is treated using a high order multiple-scattering approach; extensive comparison with experiment and analysis of mechanisms have been made. Fitting the calculated amplitude with a simple analytic form, the asymptotic velocity dependence of the cross section is obtained. The effect on the capture amplitude of altering the inner part of the internuclear potential has also been explored. In the intermediate velocity regime, earlier work on collisions between protons and hydrogenic-ion targets using a coupled-state approach is being extended to the two-electron helium target. 29 refs

  11. Coherence in electron-impact excitation of helium

    International Nuclear Information System (INIS)

    Batelaan, Hermanus.

    1991-01-01

    This thesis describes an experimental study into the electron-impact excitation to the 3 3 P, 3 1 D and 3 3 D states of Helium. The scattered electron and the photon, emitted by the excited atom, are measured in coincidence. The parameters, which can be varied, are the scattering angle and the kinetic energy of the projectile. Two parameters, which are used to characterize the excited state, are the angular momentum transferred to the atom, L perpendicular, and the alignment angle γ. It is shown that results of measurements on 3 1 D excitation with photon detection perpendicular to the scattering plane do not agree in the small scattering angle region with any of the model calculations currently available. Remarkable is the sign of L perpendicular, which appears to start of negatively at 60 eV. It is shown that for 3 3 P excitation the predicted large value of γ is indeed found experimentally. This supports the suggestion that exchange scattering is underestimated in model calculations for 1 P excitation. Another result is that for 1 P and 3 P excitation the behaviour of L perpendicular as a function of the scattering angle can be related at different impact energies with the help of a partial wave expansion. A scaling relation can be formulated for the behaviour of L perpendicular. The influence of a negative ion resonance to excitation of the 3 3 D state is investigated. Both in coincidence and non-coincidence measurements the presence of the resonance yields information on both the direct and indirect excitation of the 3 3 D state. It is shown that the coincident measurement gives an unique opportunity to determine the excited 3 3 D state completely. Results of measurements with photon detection in the scattering plane are given. They supplement previous 3 1 D and 3 3 D results and allow physical parameters, such as L perpendicular and γ, to be obtained. (H.W.). 132 refs.; 20 figs.; 18 tabs

  12. Electron scattering and collective excitations in nuclei

    International Nuclear Information System (INIS)

    Goutte, D.

    1989-01-01

    Nuclear collective degrees of freedom are investigated through the study of the radial dependance of their wave function. Inelastic electron scattering is shown to be the appropriate tool to extract such a detailed information. Some recent results on spherical as well as deformed nuclei are discussed and the most recent extensions to the mean field approach are compared to these data in order to clarify the present status of our understanding of the dynamical properties of complex nuclei

  13. Electron-collision excitation cross section of the silver atom

    International Nuclear Information System (INIS)

    Krasavin, A.Y.; Kuchenev, A.N.; Smirnov, Y.M.

    1983-01-01

    The cross sections for direct excitation by electron collision were measured for fifteen transitions of the silver atom. For thirteen of these transitions the optical excitation functions were recorded, varying the energy of the exciting electrons from the threshold energy to 250 eV. The operating region of the spectrum was 2000--5500 A. The excitation cross sections of the two principal lines exceeded the excitation cross sections of all the remaining lines by more than an order of magnitude. Reabsorption of the resonance lines was detected from the change in the ratio of intensities of the lines at 3280.68 and 3382.89 A, and so their intensity has been corrected relative to the intensities of the nonreabsorbed lines. All radiative transitions, with the exception of resonance transitions, participate in cascade population of the lowest resonance levels, making it possible to determine the resulting direct excitation cross sections of the 5p 2 P/sub 1/2/ and 5p 2 P/sub 3/2/ levels from the ground state of the silver atom. The part played by cascade population of the resonance levels is not large and is 2 P/sub 3/2/ level, and 10% for the 5p 2 P/sub 1/2/ level, of the excitation cross sections of the corresponding resonance transitions

  14. Electronically excited negative ion resonant states in chloroethylenes

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

    2015-02-15

    Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

  15. Electron impact excitation of xenon from the metastable state to the excited states

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Jun; Dong Chenzhong; Xie Luyou; Zhou Xiaoxin [College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Wang Jianguo [Institute of Applied Physics and Computational Mathematic, Beijing 100088 (China)], E-mail: dongcz@nwnu.edu.cn

    2008-12-28

    The electron impact excitation cross sections from the lowest metastable state 5p{sup 5}6sJ = 2 to the six lowest excited states of the 5p{sup 5}6p configuration of xenon are calculated systematically by using the fully relativistic distorted wave method. In order to discuss the effects of target state descriptions on the electron impact excitation cross sections, two correlation models are used to describe the target states based on the multiconfiguration Dirac-Fock (MCDF) method. It is found that the correlation effects play a very important role in low energy impact. For high energy impact, however, the cross sections are not sensitive to the description of the target states, but many more partial waves must be included.

  16. Structural and volume changes and their correlation in electron irradiated alkali silicate glasses

    International Nuclear Information System (INIS)

    Gavenda, Tadeáš; Gedeon, Ondrej; Jurek, Karel

    2017-01-01

    Highlights: • Volume changes were correlated with both incubation dose and Raman spectra. • Irradiation decreases Si-O-Si angle and increases the amount of three-membered rings. • Levelling of the pits depends on the dose below and above incubation dose. • Restoration of the original structure was limited to low-frequency region. - Abstract: Two binary alkali silicate glasses (15K 2 O·85SiO 2 – denoted as K15 and 15Li 2 O·85SiO 2 – denoted as Li15) were irradiated by 50 keV electron beams with doses within the range of 2.1–15.9 kC/m 2 . Volume changes induced by electron irradiation were monitored by means of Atomic Force Microscopy (AFM). Raman spectra were taken from the irradiated spots to observe structural changes. Volume compaction observed at lower doses was correlated with the increase of the D2 peak. Volume expansion at higher doses was related to migration of alkali ions. Irradiated glasses were annealed at 400 °C and 500 °C for 60 min. After annealing irradiated spots were again examined by AFM and Raman spectroscopy in order to determine volume and structural relaxation of radiation induced changes. Annealing at higher temperatures resulted in the levelling of the pits created by irradiation, but only for doses below incubation dose. The pits created by doses above incubation dose were not levelled. Annealing caused decrease of D2 peak and shift of the Si-O-Si vibrations band in direction to original structure. Low-frequency region of annealed Li15 glass was undistinguishable from that of pristine glass, while annealing of K15 glass did not result in the full reversion to the original shape. The differences between glasses were attributed to higher T g of K15 glass. Q-motives bands of both glasses were not completely restored after annealing due to the absence of alkali ions.

  17. Development of high-performance alkali-hybrid polarized 3He targets for electron scattering

    Science.gov (United States)

    Singh, Jaideep T.; Dolph, P. A. M.; Tobias, W. A.; Averett, T. D.; Kelleher, A.; Mooney, K. E.; Nelyubin, V. V.; Wang, Yunxiao; Zheng, Yuan; Cates, G. D.

    2015-05-01

    Background: Polarized 3He targets have been used as effective polarized neutron targets for electron scattering experiments for over twenty years. Over the last ten years, the effective luminosity of polarized 3He targets based on spin-exchange optical pumping has increased by over an order of magnitude. This has come about because of improvements in commercially-available lasers and an improved understanding of the physics behind the polarization process. Purpose: We present the development of high-performance polarized 3He targets for use in electron scattering experiments. Improvements in the performance of polarized 3He targets, target properties, and operating parameters are documented. Methods: We utilize the technique of alkali-hybrid spin-exchange optical pumping to polarize the 3He targets. Spectrally narrowed diode lasers used for the optical pumping greatly improved the performance. A simulation of the alkali-hybrid spin-exchange optical pumping process was developed to provide guidance in the design of the targets. Data was collected during the characterization of 24 separate glass target cells, each of which was constructed while preparing for one of four experiments at Jefferson Laboratory in Newport News, Virginia. Results: From the data obtained we made determinations of the so-called X -factors that quantify a temperature-dependent and as-yet poorly understood spin-relaxation mechanism that limits the maximum achievable 3He polarization to well under 100%. The presence of the X -factor spin-relaxation mechanism was clearly evident in our data. Good agreement between the simulation and the actual target performance was obtained by including details such as off-resonant optical pumping. Included in our results is a measurement of the K -3He spin-exchange rate coefficient kseK=(7.46 ±0.62 ) ×10-20cm3/s over the temperature range 503 K to 563 K. Conclusions: In order to achieve high performance under the operating conditions described in this paper

  18. Structural and volume changes and their correlation in electron irradiated alkali silicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Gavenda, Tadeáš, E-mail: gavendat@vscht.cz [Department of Glass and Ceramics, University of Chemical Technology, Technicka 5, CZ-166 28 Prague (Czech Republic); Gedeon, Ondrej [Department of Glass and Ceramics, University of Chemical Technology, Technicka 5, CZ-166 28 Prague (Czech Republic); Jurek, Karel [Institute of Physics, Academy of the Czech Republic, Na Slovance 2, CZ-182 21 Prague (Czech Republic)

    2017-04-15

    Highlights: • Volume changes were correlated with both incubation dose and Raman spectra. • Irradiation decreases Si-O-Si angle and increases the amount of three-membered rings. • Levelling of the pits depends on the dose below and above incubation dose. • Restoration of the original structure was limited to low-frequency region. - Abstract: Two binary alkali silicate glasses (15K{sub 2}O·85SiO{sub 2} – denoted as K15 and 15Li{sub 2}O·85SiO{sub 2} – denoted as Li15) were irradiated by 50 keV electron beams with doses within the range of 2.1–15.9 kC/m{sup 2}. Volume changes induced by electron irradiation were monitored by means of Atomic Force Microscopy (AFM). Raman spectra were taken from the irradiated spots to observe structural changes. Volume compaction observed at lower doses was correlated with the increase of the D2 peak. Volume expansion at higher doses was related to migration of alkali ions. Irradiated glasses were annealed at 400 °C and 500 °C for 60 min. After annealing irradiated spots were again examined by AFM and Raman spectroscopy in order to determine volume and structural relaxation of radiation induced changes. Annealing at higher temperatures resulted in the levelling of the pits created by irradiation, but only for doses below incubation dose. The pits created by doses above incubation dose were not levelled. Annealing caused decrease of D2 peak and shift of the Si-O-Si vibrations band in direction to original structure. Low-frequency region of annealed Li15 glass was undistinguishable from that of pristine glass, while annealing of K15 glass did not result in the full reversion to the original shape. The differences between glasses were attributed to higher T{sub g} of K15 glass. Q-motives bands of both glasses were not completely restored after annealing due to the absence of alkali ions.

  19. Electron impact excitation of Kr XXXII

    Science.gov (United States)

    Aggarwal, K. M.; Keenan, F. P.; Lawson, K. D.

    2009-09-01

    Collision strengths (Ω) have been calculated for all 7750 transitions among the lowest 125 levels belonging to the 2s2p,2s2p,2p,2s3ℓ,2s2p3ℓ, and 2p3ℓ configurations of boron-like krypton, Kr XXXII, for which the Dirac Atomic R-matrix Code has been adopted. All partial waves with angular momentum J⩽40 have been included, sufficient for the convergence of Ω for forbidden transitions. For allowed transitions, a top-up has been included in order to obtain converged values of Ω up to an energy of 500 Ryd. Resonances in the thresholds region have been resolved in a narrow energy mesh, and results for effective collision strengths (ϒ) have been obtained after averaging the values of Ω over a Maxwellian distribution of electron velocities. Values of ϒ are reported over a wide temperature range below 107.3K, and the accuracy of the results is assessed. Values of ϒ are also listed in the temperature range 7.3⩽logTe(K)⩽9.0, obtained from the nonresonant collision strengths from the Flexible Atomic Code.

  20. Orientation-dependent imaging of electronically excited quantum dots

    Science.gov (United States)

    Nguyen, Duc; Goings, Joshua J.; Nguyen, Huy A.; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

    2018-02-01

    We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x0, y0) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x0, y0) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density |φi) (x0,y0)|nudge quantum dots on the surface and roll them, thus imaging excited state electronic structure of a single quantum dot at different orientations. We use density functional theory to model ODMs at various orientations, for qualitative comparison with the SMA-STM experiment. The model demonstrates that our experimentally observed signal monitors excited states, localized by defects near the surface of an individual quantum dot. The sub-nanometer super-resolution imaging technique demonstrated here could become useful for mapping out the three-dimensional structure of excited states localized by defects within nanomaterials.

  1. Search for nuclear excitation by laser-driven electron motion

    International Nuclear Information System (INIS)

    Bounds, J.A.; Dyer, P.

    1992-01-01

    It has been proposed that a nucleus may be excited by first exciting the atom's electrons with UV photons. The incident photons couple to the electrons, which would then couple via a virtual photon to the nucleus. As a test case, experiments with 235 U have been performed. A pulsed infrared laser produces an atomic vapor of 235 U which is then bombarded by a high-brightness UV laser beam. The resulting ions are collected. The first excited nuclear state of 235 U has a 26-min half-life and decays by internal conversion, resulting in emission of an atomic electron. These conversion electrons are detected by a channel electron multiplier. An upper limit of 4.0x10 -5 has been obtained for the probability of exciting the nucleus of a 235 U atom that is in the 248-nm UV beam for 700 fs at an irradiance in the range of 1.0x10 15 to 2.5x10 15 W/cm 2

  2. The Influence of Non-Equilibrium Excitation on the Electron Density in One-Dimensional MFD Channel Flow

    Energy Technology Data Exchange (ETDEWEB)

    Eichert, K.; Kaeppeler, H. J. [Institut fuer Plasmaforschung der Technischen Hochschule Stuttgart, Federal Republic of Germany (Germany)

    1966-10-15

    In previous publications, a system of equations was derived from the gas-kinetic description of a multi-component reacting plasma and employed for the calculation of one-dimensional subsonic flows. This system is now extended to include non-equilibrium excitation. No thermal or chemical equilibrium between the various components of the plasma is assumed. The components of the plasma considered are a non-reacting working fluid, an alkali metal vapour as a seeding material, ions of this seeding substance, and electrons. Three levels for the excited states are introduced. The reactions considered are excitation and ionization by electron collisions, and photo-ionization, as well as the corresponding reverse processes. For the reaction velocities, analytical equations are introduced permitting insertion of any excitation or ionization cross-sections of either experimental or theoretical origin. The method employed had been previously suggested by one of the authors. As examples, the degrees of excitation and ionization in the flow of a helium working fluid with 1% caesium seeding through a channel against transverse magnetic fields of 15 and 40 kg at Mach numbers of 0.7 and 0.8, respectively, were calculated. The results of the calculations show that for relatively small magnetic fields there is no rapid rise of the ionization to Saha-equilibrium as a function of electron temperature. A comparison with the results of a calculation neglecting excitation shows that especially for relatively large magnetic fields non-equilibrium excitation has an essential influence on the electron density and its approach to equilibrium. Neglecting excitation, there results a nearly frozen behaviour of the degree of ionization within channel lengths of technical interest for small magnetic fields. (author)

  3. [Electron transfer, ionization, and excitation in atomic collisions

    International Nuclear Information System (INIS)

    1992-01-01

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He + collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential

  4. The impact of alkali metal halide electron donor complexes in the photocatalytic degradation of pentachlorophenol

    Energy Technology Data Exchange (ETDEWEB)

    Khuzwayo, Z., E-mail: zack.khuzwayo@up.ac.za; Chirwa, E.M.N

    2017-01-05

    Highlights: • Facilitation of photocatalysis using simple metal-halides as VB hole scavengers. • Recombination prevention by coupled valence and conduction band approaches. • Determination of anions critical levels beyond which process retardation occurs. • Determination of the photocatalytic process rate of reaction kinetics. - Abstract: The performance of photocatalytic oxidation of chemical pollutants is subjected to the presence of anion complexes in natural waters. This study investigated the influence of alkali metal (Na{sup +} (sodium), K{sup +} (potassium)) halides (Cl{sup −} (chloride), Br{sup −} (bromide), F{sup −} (fluoride)) as inorganic ion sources in the photocatalytic degradation of pentachlorophenol (PCP) in batch systems. It was found that the exclusive presence of halides in the absence of an electron acceptor adequately facilitated the photocatalyst process below critical levels of anion populations, where beyond the critical point the process was significantly hindered. Below the determined critical point, the performance in some cases near matches that of the facilitation of the photocatalytic process by exclusive oxygen, acting as an electron scavenger. The coupling of halide ions and oxygenation presented significantly improved photo-oxidation of PCP, this was confirmed by the inclusion of formic acid as a comparative electron donor. The Langmuir-Hinshelwood kinetic expression was used to calculate the performance rate kinetics. The probable impact of the halide anions was discussed with regards to the process of electron hole pair recombination prevention.

  5. Extremely confined gap surface-plasmon modes excited by electrons

    DEFF Research Database (Denmark)

    Raza, Søren; Stenger, Nicolas; Pors, Anders Lambertus

    2014-01-01

    High-spatial and energy resolution electron energy-loss spectroscopy (EELS) can be used for detailed characterization of localized and propagating surface-plasmon excitations in metal nanostructures, giving insight into fundamental physical phenomena and various plasmonic effects. Here, applying...... EELS to ultra-sharp convex grooves in gold, we directly probe extremely confined gap surface-plasmon (GSP) modes excited by swift electrons in nanometre-wide gaps. We reveal the resonance behaviour associated with the excitation of the antisymmetric GSP mode for extremely small gap widths, down to ~5...... mode exploited in plasmonic waveguides with extreme light confinement is a very important factor that should be taken into account in the design of nanoplasmonic circuits and devices....

  6. Photoionization of furan from the ground and excited electronic states.

    Science.gov (United States)

    Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

    2016-02-28

    Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

  7. Simultaneous electron capture and excitation in ion-atom collisions

    International Nuclear Information System (INIS)

    Tanis, J.A.; Bernstein, E.M.; Graham, W.G.; Clark, M.; Shafroth, S.M.; Johnson, B.M.; Jones, K.; Meron, M.

    1982-01-01

    A review of recent efforts to observe simultaneous electron capture-and-K-shell excitation in ion-atom collisions is presented. This process which has been referred to as resonant-transfer-and-excitation (RTE), is qualitatively analogous to dielectronic recombination (inverse Auger transition) in free-electron-ion collisions, and, hence, is expected to be resonant. Experimentally, events having the correct signature for simultaneous capture-and-excitation are isolated by detecting projectile K x rays in coincidence with ions which capture a single electron. In a recent experiment involving 70-160 MeV S 13+ ions incident on Ar, a maximum was observed in the yield of projectile K x rays associated with electron capture. This maximum is attributed to simultaneous capture - and excitation. The position (120 MeV) and width (60 MeV) of the observed maximum are in good agreement with theoretical calculations. The data indicate that RTE is an important mechanism for inner-shell vacancy production in the energy range studied

  8. The coupling of condensed matter excitations to electron probes

    International Nuclear Information System (INIS)

    Ritchie, R.H.

    1988-01-01

    Aspects of coupling of a classical electron with bulk and surface excitations in condensed matter have been sketched. Some considerations of a self-energy approach to the complete quantal treatment of this coupling have been given. 19 refs., 3 figs

  9. Electronic-excitation induced radiation damage in glasses

    Energy Technology Data Exchange (ETDEWEB)

    Vigouroux, J P

    1985-01-01

    In order to understand the microscopic nature of radiation induced defects in insulators, we have studied localization of negative and positive charges in amorphous and monocrystalline SiO2. The behaviour of these charges is linked to creation of point defects by electronic excitation. The role of intense electric fields under irradiation is pointed out.

  10. 23P excitation of helium by electron impact

    International Nuclear Information System (INIS)

    Roeder, J.; Ehrhardt, H.; Bray, I.; Fursa, D.

    1996-03-01

    We present highly accurate relative measurements of 23P excitation of helium by electron impact at 30, 40 and 50 eV. These, when normalised to the convergent close-coupling (CCC) theory at one angle, yield excellent agreement at the remaining angles. This resolves some of the outstanding discrepancies between the CCC theory and earlier measurements. (authors). 14 refs., 3 figs

  11. Electron-impact excitation of the potassium atom

    International Nuclear Information System (INIS)

    Phelps, J.O.; Solomon, J.E.; Korff, D.F.; Lin, C.C.; Lee, E.T.P.

    1979-01-01

    Absolute optical electron-impact excitation functions for 24 transitions of the sharp, principal, diffuse, and fundamental spectral series of potassium have been measured. The determination of the density of the potassium vapor in the collision chamber was made by measuring the degree of transmission, by the vapor, of potassium resonance radiation generated externally in a fluorescence cell. Direct excitation functions were determined for 14 states (5S, 6S, 7S, 8S, 4P, 5P, 6P, 7P, 3D, 5D, 6D, 5F, 6F, and 7F) with the aid of known radiative-transition probabilities. Theoretical calculations of these same 14 excitation functions, as well as 4D and 4F, were carried out by means of the Born approximation. The 4P, 5P, 5S, 3D, and 4D direct excitation functions at intermediate energies (10--25 eV) were also calculated by the method of multistate close coupling, neglecting projectile--target-electron exchange. The high-energy (above 100 eV) Born-approximation cross sections agree with the experimental results for 4P and for all S states, but are lower than experimental results, by 30--40%, for the D and F states. At intermediate energies the close-coupling excitation calculations agree well with the experimental excitation functions for 4P and 5P, but are significantly higher than experimental values for 5S and 3D. The discrepancies between the experimental and theoretical results are probably due to a combination of systematic experimental errors, errors in the available transition-probability values, and errors in the theoretical excitation functions introduced by the use of approximate excited-state wave functions (Hartree-Fock-Slater), by the neglect of projectile--target-electron exchange. The polarization of the 4P-4S and 3D-4P radiation produced by electron impact was measured, and the results were used to determine the direct excitation functions of the separate magnetic sublevels of the 4P state

  12. Electron-impact excitation autoionization of Ga II

    International Nuclear Information System (INIS)

    Pindzola, M.S.; Griffin, D.C.; Bottcher, C.

    1982-01-01

    The general-reaction theory of Feshbach is applied, within the framework of the distorted-wave approximation, to the calculation of excitation-autoionization resonances in the electron-impact ionization of Ga + . Although the spectrum of autoionizing levels for Ga + is quite complex, we focus our attention on the important 3d 10 4s 2 → 3d 9 4s 2 4p inner-shell excitations. For excitation of the 3d 9 4s 2 4p 1 P 1 autoionizing level we make a general-reaction-theory calculation for the dominant partial-wave cross section and compute a typical resonance profile in the ejected-electron differential cross section. We find that the quantum-mechanical interference between the direct and indirect processes has a small effect on the total ionization cross section. Employing an independent-processes approximation we calculate excitation-autoionization contributions to all twelve levels of the 3d 9 4s 2 4p configuration. Using the results of our calculations and their comparison with a recent crossed-beam experiment by Rogers et al., we discuss the accuracy of the distorted-wave method and the effects of configuration interaction on energy levels and excitation cross sections

  13. Electron-impact excitation and ionization cross sections for ground state and excited helium atoms

    International Nuclear Information System (INIS)

    Ralchenko, Yu.; Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de

    2008-01-01

    Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n≤4 are treated individually, while the states with n≥5 are considered degenerate. For the processes involving transitions to and from n≥5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form

  14. Electron emission from materials at low excitation energies

    International Nuclear Information System (INIS)

    Urma, N.; Kijek, M.; Millar, J.J.

    1996-01-01

    Full text: An experimental system has been designed and developed with the purpose of measuring the total electron emission yield from materials at low energy excitation. In the first instance the reliability of the system was checked by measuring the total electron emission yield for a well defined surface (aluminium 99.45%). The obtained data was in the expected range given by the literature, and consequently the system will be used further for measuring the total electron yield for a range of materials with interest in the instrumentation industry. We intend to measure the total electron emission yield under electron bombardment as a function of incident electron energy up to 1200 eV, angle of incidence, state of the surface and environment to which the surface has been exposed. Dependence of emission on total electron irradiated dose is also of interest. For many practical application of the 'Secondary Electron Emission', the total electron yield is desired to be as large as possible. The above phenomenon has practical applicability in electron multiplier tube and Scanning electron microscopy - when by means of the variation of the yield of the emitted electrons one may produce visible images of small sample areas. The electron multiplier tube, is a device which utilises the above effect to detect and amplify both single particles and low currents streams of charged particles. The majority of electron tubes use electrons with low energy, hundreds of eV. Not a lot has been published in the literature about this regime and also about the emission when the impinging electrons have small energy, up to 1 KeV. The information obtained from the experimental measurements concerning the total electron emission yield is used to asses the investigated materials as a potential electron emitting surfaces or dynodes in an electron multiplier tube

  15. Dynamics of two-electron excitations in helium

    Energy Technology Data Exchange (ETDEWEB)

    Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others

    1997-04-01

    Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.

  16. Atomic excitation and molecular dissociation by low energy electron collisions

    International Nuclear Information System (INIS)

    Weyland, Marvin

    2016-01-01

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  17. Chemical modulation of electronic structure at the excited state

    Science.gov (United States)

    Li, F.; Song, C.; Gu, Y. D.; Saleem, M. S.; Pan, F.

    2017-12-01

    Spin-polarized electronic structures are the cornerstone of spintronics, and have thus attracted a significant amount of interest; in particular, researchers are looking into how to modulate the electronic structure to enable multifunctional spintronics applications, especially in half-metallic systems. However, the control of the spin polarization has only been predicted in limited two-dimensional systems with spin-polarized Dirac structures and is difficult to achieve experimentally. Here, we report the modulation of the electronic structure in the light-induced excited state in a typical half-metal, L a1 /2S r1 /2Mn O3 -δ . According to the spin-transport measurements, there appears a light-induced increase in magnetoresistance due to the enhanced spin scattering, which is closely associated with the excited spin polarization. Strikingly, the light-induced variation can be enhanced via alcohol processing and reduced by oxygen annealing. X-ray photoelectron spectroscopy measurements show that in the chemical process, a redox reaction occurs with a change in the valence of Mn. Furthermore, first-principles calculations reveal that the change in the valence of Mn alters the electronic structure and consequently modulates the spin polarization in the excited state. Our findings thus report a chemically tunable electronic structure, demonstrating interesting physics and the potential for multifunctional applications and ultrafast spintronics.

  18. Atomic excitation and molecular dissociation by low energy electron collisions

    Energy Technology Data Exchange (ETDEWEB)

    Weyland, Marvin

    2016-11-16

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  19. Statistics of excitations in the electron glass model

    Science.gov (United States)

    Palassini, Matteo

    2011-03-01

    We study the statistics of elementary excitations in the classical electron glass model of localized electrons interacting via the unscreened Coulomb interaction in the presence of disorder. We reconsider the long-standing puzzle of the exponential suppression of the single-particle density of states near the Fermi level, by measuring accurately the density of states of charged and electron-hole pair excitations via finite temperature Monte Carlo simulation and zero-temperature relaxation. We also investigate the statistics of large charge rearrangements after a perturbation of the system, which may shed some light on the slow relaxation and glassy phenomena recently observed in a variety of Anderson insulators. In collaboration with Martin Goethe.

  20. Electron collisions and internal excitation in stored molecular ion beams

    International Nuclear Information System (INIS)

    Buhr, H.

    2006-01-01

    In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He + 2 . The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He + 2 , which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD + is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

  1. Electron collisions and internal excitation in stored molecular ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Buhr, H.

    2006-07-26

    In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

  2. Imaging femtosecond laser-induced electronic excitation in glass

    International Nuclear Information System (INIS)

    Mao Xianglei; Mao, Samuel S.; Russo, Richard E.

    2003-01-01

    While substantial progress has been achieved in understanding laser ablation on the nanosecond and picosecond time scales, it remains a considerable challenge to elucidate the underlying mechanisms during femtosecond laser material interactions. We present experimental observations of electronic excitation inside a wide band gap glass during single femtosecond laser pulse (100 fs, 800 nm) irradiation. Using a femtosecond time-resolved imaging technique, we measured the evolution of a laser-induced electronic plasma inside the glass and calculated the electron number density to be on the order of 10 19 cm -3

  3. First Principles Calculations of Electronic Excitations in 2D Materials

    DEFF Research Database (Denmark)

    Rasmussen, Filip Anselm

    electronic transport, optical and chemical properties. On the other hand it has shown to be a great starting point for a systematic pertubation theory approach to obtain the so-called quasiparticle spectrum. In the GW approximation one considers the considers the potential from a charged excitation...... as if it is being screened by the electrons in the material. This method has been very successful for calculating quasiparticle energies of bulk materials but results have been more varying for 2D materials. The reason is that the 2D confined electrons are less able to screen the added charge and some...

  4. Ultrafast equilibration of excited electrons in dynamical simulations.

    Science.gov (United States)

    Lin, Zhibin; Allen, Roland E

    2009-12-02

    In our density-functional-based simulations of materials responding to femtosecond-scale laser pulses, we have observed a potentially useful phenomenon: the excited electrons automatically equilibrate to a Fermi-Dirac distribution within ∼100 fs, solely because of their coupling to the nuclear motion, even though the resulting electronic temperature is one to two orders of magnitude higher than the kinetic temperature defined by the nuclear motion. Microscopic simulations like these can then provide the separate electronic and kinetic temperatures, chemical potentials, pressures, and nonhydrostatic stresses as input for studies on larger lengths and timescales.

  5. Electron-impact excitation of complex atoms and ions

    International Nuclear Information System (INIS)

    Burke, P.G.; Burke, V.M.; Dunseath, K.M.

    1994-01-01

    A new R-matrix approach for calculating cross sections and rate coefficients for electron-impact excitation of complex atoms and ions is described. This approach, based on an expansion of the total wavefunction in target configurations rather than in individual target states and taking advantage of the special status of the scattered electron in the collisional wavefunction, enables the angular integrals to be performed very much more efficiently than hitherto. It also enables electron correlation effects in the target and in the electron-target collision complex to be treated consistently, eliminating pseudo-resonances which have caused serious difficulties in some earlier work. A major new program package RMATRIX II has been written that implements this approach and, as an example, electron-impact excitation of Fe 2+ is considered where the four target configurations 3d 6 , 3d 5 4s, 3d 5 4p and 3d 5 4d are retained in the expansion of the total wavefunction. RMATRIX II is compared with the standard R-matrix program package and is found to be much more efficient showing that accurate electron scattering calculations involving complex targets, such as the astrophysically important low ionization stages of iron-peak elements, are now possible. (author)

  6. General theory for environmental effects on (vertical) electronic excitation energies.

    Science.gov (United States)

    Schwabe, Tobias

    2016-10-21

    Almost 70 years ago, the first theoretical model for environmental effects on electronic excitation energies has been derived. Since then, several different interpretations and refined models have been proposed for the perichromic shift of a chromophore due to its surrounding medium. Some of these models are contradictory. Here, the contributing terms are derived within the framework of long-range perturbation theory with the least approximations so far. The derivation is based on a state-specific interpretation of the interaction energies and all terms can be identified with individual properties of either the chromophore or the surroundings, respectively. Further, the much debated contribution due to transition moments coupled to the environment can be verified in the form of a non-resonant excitonic coupling to the dynamic polarizabilities in the environment. These general insights should clarify discussions and interpretations of environmental effects on electronic excitations and should foster the development of new models for the computation of these effects.

  7. VUV Study of Electron-Pyrimidine Dissociative Excitation

    Science.gov (United States)

    Hein, Jeff; Al-Khazraji, Hajar; Tiessen, Collin; Lukic, Dragan; Trocchi, Joshuah; McConkey, William

    2013-05-01

    A crossed electron-gas beam system coupled to a VUV spectrometer has been used to investigate the dissociation of pyrimidine (C4H4N2) into excited atomic fragments in the electron-impact energy range from threshold to 375 eV. Data have been made absolute using Lyman- α from H2 as a secondary standard. The main features in the spectrum are the H Lyman series lines. The emission cross section of Lyman- α is measured to be (2.44 +/- 0.25) 10-18 cm2 at 100 eV impact energy. The probability of extracting C or N atoms from the ring is shown to be very small. Possible dissociation channels and excitation mechanisms in the parent molecule will be discussed. The authors thank NSERC (Canada) for financial support.

  8. Electron-lattice Interaction and Nonlinear Excitations in Cuprate Structures

    International Nuclear Information System (INIS)

    Paulsen, J.; Eschrig, H.; Drechsler, S.L.; Malek, J.

    1995-01-01

    A low temperature lattice modulation of the chains of the YBa 2 Cu 3 O 7 is considered by deriving a Hamiltonian of electron-lattice interaction from density-functional calculations for deformed lattice and solving it for the groundstate. Hubbard-type Coulomb interaction is included. The obtained groundstate is a charge-density-wave state with a pereodicity of four lattice constants and a gap for one-electron excitations of about 1eV, sensitively depending on parameters of the Hamiltonian. There are lots of polaronic and solitonic excitations with formation energies deep in the gap, which can pin the Fermi level and thus produce again metallicity of the chain. They might also contribute to pairing of holes in adjacent CuO 2 -planes. (author)

  9. High power electron beam accelerators for gas laser excitation

    International Nuclear Information System (INIS)

    Kelly, J.G.; Martin, T.H.; Halbleib, J.A.

    1976-06-01

    A preliminary parameter investigation has been used to determine a possible design of a high-power, relativistic electron beam, transversely excited laser. Based on considerations of present and developing pulsed power technology, broad area diode physics and projected laser requirements, an exciter is proposed consisting of a Marx generator, pulse shaping transmission lines, radially converging ring diodes and a laser chamber. The accelerator should be able to deliver approximately 20 kJ of electron energy at 1 MeV to the 10 4 cm 2 cylindrical surface of a laser chamber 1 m long and 0.3 m in diameter in 24 ns with very small azimuthal asymmetry and uniform radial deposition

  10. Processes of the excitation energy migration and transfer in Ce3+-doped alkali gadolinium phosphates studied with time-resolved photoluminescence spectroscopy technique

    International Nuclear Information System (INIS)

    Stryganyuk, G.; Shalapska, T.; Voloshinovskii, A.; Gektin, A.; Krasnikov, A.; Zazubovich, S.

    2011-01-01

    Spectral-kinetic characteristics of Gd 3+ and Ce 3+ luminescence from a series of Ce 3+ -doped alkali gadolinium phosphates of MGdP 4 O 12 type (M=Li, Na, Cs) have been studied within 4.2-300 K temperature range using time-resolved luminescence spectroscopy techniques. The processes of energy migration along the Gd 3+ sub-lattice and energy transfer between the Gd 3+ and Ce 3+ ions have been investigated. Peculiarities of these processes have been compared for MGdP 4 O 12 phosphate hosts with different alkali metal ions. A contribution of different levels from the 6 P j multiplet of the lowest Gd 3+ excited state into the energy migration and transfer processes has been clarified. The phonon-assisted occupation of high-energy 6 P 5/2,3/2 levels by Gd 3+ in the excited 6 P j state has been revealed as a shift of Gd 3+6 P j → 8 S 7/2 emission into the short-wavelength spectral range upon the temperature increase. The relaxation of excited Gd 3+ via phonon-assisted population of Gd 3+6 P 5/2 level (next higher one to the lowest excited 6 P 7/2 ) is supposed to be responsible for the rise in probability of energy migration within the Gd 3+ sub-lattice initiating the Gd 3+ →Ce 3+ energy transfer at T 3+ →Ce 3+ energy transfer at T>150 K is explained by the increase in probability of Gd 3+ relaxation into the highest 6 P 3/2 level of the 6 P j multiplet. An efficient reversed Ce 3+ →Gd 3+ energy transfer has been revealed for the studied phosphates at 4.2 K. - Highlights: →We investigate the Gd 3+ -Ce 3+ energy transfer in alkali gadolinium phosphates. → Thermal population of Gd 3+6 P 5/2 level improves migration along the Gd sub-lattice. → Increasing overlap of Gd 3+ and Ce 3+ states enhances the Gd 3+ -Ce 3+ energy transfer. → In LiGdP 4 O 12 :Ce and NaGdP 4 O 12 :Ce an efficient Ce 3+ -Gd 3+ transfer occurs at 4-300 K. → An effective reverse Gd 3+ -Ce 3+ energy transfer becomes possible at T>150 K.

  11. The role of electron-impact vibrational excitation in electron transport through gaseous tetrahydrofuran

    Energy Technology Data Exchange (ETDEWEB)

    Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Do, T. P. T. [School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.

  12. A study of vibrational relaxation of electronically-excited molecules

    International Nuclear Information System (INIS)

    Datsyuk, V.V.; Izmailov, I.A.; Kochelap, V.A.

    1992-09-01

    The time kinetics of the vibrational relaxation of excimers is studied in the diffusional approximation. Simple formulae for functions of nonstationary vibrational distribution are found for the electronically excited molecules. Some spectral-kinetic dependencies of the excimer luminescence are explained in a new way. The possibilities of the determination of excimer parameters are discussed. The dependence of energetical characteristics of excimer lasers on these parameters is particularly emphasized. (author). 22 refs, 5 figs

  13. [Electron transfer, ionization and excitation in atomic collisions

    International Nuclear Information System (INIS)

    1991-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental atomic-collision processes of electron transfer, ionization, and excitation. Winter has focussed attention on intermediate and, more recently, higher collision energies -- proton energies of at least about 50 keV -- for which coupled-state approaches are appropriate. Alston has concentrated on perturbative approaches to symmetric ion-ion/atom collisions at high energies and to asymmetric collisions at intermediate to high energies

  14. Theory of nuclear excitation by electron capture for heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Gagyi-Palffy, A.

    2006-07-01

    The resonant process of nuclear excitation by electron capture (NEEC) in collisions involving highly-charged ions has been investigated theoretically. NEEC is a rare recombination process in which a free electron is captured into a bound shell of an ion with the simultaneous excitation of the nucleus. Total cross sections for NEEC followed by the radiative decay of the excited nucleus are presented for various collision systems. The possibility to observe the NEEC in scattering experiments with trapped or stored ions was discussed focusing on the cases with the largest calculated resonance strength. As the photons emitted in different channels of the electron recombination process are indistinguishable in the total cross section, the interference between NEEC followed by the radiative decay of the nucleus and radiative recombination was investigated. The angular distribution of the emitted photons in the recombination process provides means to discern the two processes. Angular differential cross sections for the emitted photons in the case of E2 nuclear transitions were presented for several heavy elements. (orig.)

  15. Ab initio calculation of electron excitation energies in solids

    International Nuclear Information System (INIS)

    Louie, S.G.

    1996-02-01

    Progress in the first-principles calculation of electron excitation energies in solids is discussed. Quasiparticle energies are computed by expanding the electron self energy to first order in the screened Coulomb interaction in the so-called GW approximation. The method was applied to explain and predict spectroscopic properties of a variety of systems. Several illustrative applications to semiconductors, materials under pressure, chemisorption, and point defects in solids are presented. A recent reformulation of the method employing mixed- space functions and imaginary time techniques is also discussed

  16. Electron plasma dynamics during autoresonant excitation of the diocotron mode

    Energy Technology Data Exchange (ETDEWEB)

    Baker, C. J., E-mail: cbaker@physics.ucsd.edu; Danielson, J. R., E-mail: jrdanielson@ucsd.edu; Hurst, N. C., E-mail: nhurst@physics.ucsd.edu; Surko, C. M., E-mail: csurko@ucsd.edu [Physics Department, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States)

    2015-02-15

    Chirped-frequency autoresonant excitation of the diocotron mode is used to move electron plasmas confined in a Penning-Malmberg trap across the magnetic field for advanced plasma and antimatter applications. Plasmas of 10{sup 8} electrons, with radii small compared to that of the confining electrodes, can be moved from the magnetic axis to ≥90% of the electrode radius with near unit efficiency and reliable angular positioning. Translations of ≥70% of the wall radius are possible for a wider range of plasma parameters. Details of this process, including phase and displacement oscillations in the plasma response and plasma expansion, are discussed, as well as possible extensions of the technique.

  17. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals

    Science.gov (United States)

    Hartmann, S. R.; Happer, W.

    1974-01-01

    The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.

  18. Damage generation by electronic excitations in crystalline metals

    International Nuclear Information System (INIS)

    Dunlop, A.; Lesueur, D.

    1992-01-01

    This paper will give a rapid overview of the main experimental results concerning the effects of high electronic energy deposition in metallic targets and present a tentative model based on the Coulomb explosion mechanism. More detailed reviews have been made recently concerning both the experiments and the theoretical model. High levels of localized energy deposition in electronic excitation are easily obtained using GeV heavy ions which during their slowing-down typically transfer a few keV/A to the electronic system of the target and a few eV/A in elastic collisions with target nuclei. In insulators and organic materials, it is well-known that both slowing-down processes contribute to damage creation, whereas in metals it has been claimed for a long time that the sole nuclear collisions are involved in damage processes. Although this last assertion remains true for some metals such as Cu, Ag, W, Cu 3 Au...[2], high levels of electronic excitation can induce a partial annealing of the defects resulting from nuclear collisions in Fe, Ni, Nb, Pt..., lead to additional defect creation in Fe, Co, Zr, Ti...[2] or even to phase transformations in NiZr 2 [5], Ni 3 B [6], NiTi [7], Ti [8]... In the following, we shall only focus on the last two effects. (author). 15 refs

  19. Trapped electronic states in YAG crystal excited by femtosecond radiation

    Energy Technology Data Exchange (ETDEWEB)

    Zavedeev, E.V.; Kononenko, V.V.; Konov, V.I. [General Physics Institute of RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2017-07-15

    The excitation of an electronic subsystem of an yttrium aluminum garnet by 800 nm femtosecond radiation was studied theoretically and experimentally. The spatio-temporal dynamics of the refractive index (n) inside the beam waist was explored by means of the pump-probe interferometric technique with a submicron resolution. The observed increase in n indicated the formation of bound electronic states relaxed for ∝ 150 ps. We showed that the experimental data agreed with the computational simulation based on the numerical solution of the nonlinear Schroedinger equation only if these transient states were considered to arise from a direct light-induced process but not from the decay of radiatively generated free-electron-hole pairs. (orig.)

  20. Electron transfer, ionization, and excitation in atomic collisions

    International Nuclear Information System (INIS)

    Winter, T.G.; Alston, S.G.

    1992-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described

  1. Dissociative electron attachment and electronic excitation in Fe(CO)5

    Czech Academy of Sciences Publication Activity Database

    Allan, M.; Lacko, M.; Papp, P.; Matejčík, Š.; Zlatar, M.; Fabrikant, I. I.; Kočišek, Jaroslav; Fedor, Juraj

    2018-01-01

    Roč. 20, č. 17 (2018), s. 11692-11701 ISSN 1463-9076 R&D Projects: GA ČR GA17-04844S Grant - others:COST(XE) CM1301 Institutional support: RVO:61388955 Keywords : electrons * FEBID * electronic excitation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.123, year: 2016

  2. Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

    Science.gov (United States)

    Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

    2013-09-05

    Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

  3. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    , we examine the effect of the nanoscale interfacial morphology and solvation on the electronic excited states of TFB/F8BT. Here, we employ time-dependent density functional theory (TD-DFT) to investigate the relevant excited states of two stacking configurations. We show that the calculated states agree with the excited states responsible for the experimentally observed emission peaks and that these states are blue shifted relative to those of the isolated chain. Furthermore, slight lateral shifts in the stacking orientation not only shift the excited state energies; more importantly, they alter the nature of these states altogether. Lastly, we see that solvation greatly stabilizes the charge-transfer states.

  4. Computer simulation of electronic excitation in atomic collision cascades

    International Nuclear Information System (INIS)

    Duvenbeck, A.

    2007-01-01

    The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation

  5. Computer simulation of electronic excitation in atomic collision cascades

    Energy Technology Data Exchange (ETDEWEB)

    Duvenbeck, A.

    2007-04-05

    The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation

  6. Compilation of electron collision excitation cross sections for neutral argon

    International Nuclear Information System (INIS)

    Blanco, F.

    1993-01-01

    The present work presents a compilation and critical analysis of the available data on electron collision excitation cross sections for neutral Argon levels. This study includes: 1.- A detailed description in intermediate coupling for all the levels belonging the 20 configurations 3p5 ns (n=4to 12), np(n=4to8) and nd(n=3to8)of neutral Argon. 2.- Calculation of the electron collision excitation cross sections in Born and Born-Oppenheimer-Ochkur approximations for all the levels in the 14 configurations 3p5 ns (n=4 to 7), np (n=4 to 7) and nd (n=3 to 8). 3.- comparison and discussion of the compiled data. These are the experimental and theoretical values available from the literature, and those from this work. 4.- Analysis of the regularities and systematic behaviors in order to determine which values can be considered more reliable. It is show that the concept of one electron cross section results quite useful for this purpose. In some cases it has been possible to obtain in this way approximate analytical expressions interpolating the experimental data. 5.- All the experimental and theoretical values studied are graphically presented and compared. 6.- The last part of the work includes a listing of several general purpose programs for Atomic Physics calculations developed for this work. (Author) 35 refs

  7. Compilation of electron collision excitation cross sections for neutro argon

    International Nuclear Information System (INIS)

    Blanco Ramos, F.

    1993-01-01

    The present work presents a compilation and critical analysis of the available data on electron collision excitation cross sections for neutral Argon levels. This study includes: 1.- A detailed description in intermediate coupling for all the levels belonging the 20 configurations 3p''5 ns(n=4 to 12), np(n=4 to 8) and nd(n=3 to 8) of neutral Argon. 2.- Calculation of the electron collision excitation cross sections in Born and Born-Oppenheimer-Ochkur approximations for all the levels in the 14 configurations 3p''5 ns(n=4 to 7), np(n=4 to 7) and nd(n=3 to 8). 3.- Comparison and discussion of the compiled data. These are the experimental and theoretical values available from the literature, and those from this work. 4.- Analysis of the regularities and systematic behaviors in order to determine which values can be considered more reliable. It is show that the concept of one electron cross section results quite useful for this purpose. In some cases it has been possible to obtain in this way approximate analytical expressions interpolating the experimental data. 5.- All the experimental and theoretical values studied are graphically presented and compared. 6.- The last part of the work includes a listing of several general purpose programs for Atomic Physics calculations developed for this work. (Author)

  8. Effect of Alkali-Acid-Heat Chemical Surface Treatment on Electron Beam Melted Porous Titanium and Its Apatite Forming Ability

    Directory of Open Access Journals (Sweden)

    Suzan Bsat

    2015-04-01

    Full Text Available Advanced additive manufacturing techniques such as electron beam melting (EBM, can produce highly porous structures that resemble the mechanical properties and structure of native bone. However, for orthopaedic applications, such as joint prostheses or bone substitution, the surface must also be bio-functionalized to promote bone growth. In the current work, EBM porous Ti6Al4V alloy was exposed to an alkali acid heat (AlAcH treatment to bio-functionalize the surface of the porous structure. Various molar concentrations (3, 5, 10M and immersion times (6, 24 h of the alkali treatment were used to determine optimal parameters. The apatite forming ability of the samples was evaluated using simulated body fluid (SBF immersion testing. The micro-topography and surface chemistry of AlAcH treated samples were evaluated before and after SBF testing using scanning electron microscopy and energy dispersive X-ray spectroscopy. The AlAcH treatment successfully modified the topographical and chemical characteristics of EBM porous titanium surface creating nano-topographical features ranging from 200–300 nm in size with a titania layer ideal for apatite formation. After 1 and 3 week immersion in SBF, there was no Ca or P present on the surface of as manufactured porous titanium while both elements were present on all AlAcH treated samples except those exposed to 3M, 6 h alkali treatment. An increase in molar concentration and/or immersion time of alkali treatment resulted in an increase in the number of nano-topographical features per unit area as well as the amount of titania on the surface.

  9. Effect of Alkali-Acid-Heat Chemical Surface Treatment on Electron Beam Melted Porous Titanium and Its Apatite Forming Ability.

    Science.gov (United States)

    Bsat, Suzan; Yavari, Saber Amin; Munsch, Maximilian; Valstar, Edward R; Zadpoor, Amir A

    2015-04-08

    Advanced additive manufacturing techniques such as electron beam melting (EBM), can produce highly porous structures that resemble the mechanical properties and structure of native bone. However, for orthopaedic applications, such as joint prostheses or bone substitution, the surface must also be bio-functionalized to promote bone growth. In the current work, EBM porous Ti6Al4V alloy was exposed to an alkali acid heat (AlAcH) treatment to bio-functionalize the surface of the porous structure. Various molar concentrations (3, 5, 10M) and immersion times (6, 24 h) of the alkali treatment were used to determine optimal parameters. The apatite forming ability of the samples was evaluated using simulated body fluid (SBF) immersion testing. The micro-topography and surface chemistry of AlAcH treated samples were evaluated before and after SBF testing using scanning electron microscopy and energy dispersive X-ray spectroscopy. The AlAcH treatment successfully modified the topographical and chemical characteristics of EBM porous titanium surface creating nano-topographical features ranging from 200-300 nm in size with a titania layer ideal for apatite formation. After 1 and 3 week immersion in SBF, there was no Ca or P present on the surface of as manufactured porous titanium while both elements were present on all AlAcH treated samples except those exposed to 3M, 6 h alkali treatment. An increase in molar concentration and/or immersion time of alkali treatment resulted in an increase in the number of nano-topographical features per unit area as well as the amount of titania on the surface.

  10. Nuclear fission fragment excitation of electronic transition laser media

    International Nuclear Information System (INIS)

    Lorents, D.C.; McCusker, M.V.; Rhodes, C.K.

    1976-01-01

    The properties of high energy electronic transition lasers excited by fission fragments are expanded. Specific characteristics of the media including density, excitation rates, wavelength, kinetics, fissile material, scale size, and medium uniformity are assessed. The use of epithermal neutrons, homogeneously mixed fissile material, and special high cross section nuclear isotopes to optimize coupling of the energy to the medium are shown to be important considerations maximizing the scale size, energy deposition, and medium uniformity. A performance limit point of approximately 1000 J/l in approximately 100 μs pulses is established for a large class of systems operating in the near ultraviolet and visible spectral regions. It is demonstrated that e-beam excitation can be used to simulate nuclear pumping conditions to facilitate the search for candidate media. Experimental data for the kinetics of a XeF* laser operating in Ar/Xe/F 2 /UF 6 mixtures are given. These reactor-pumped systems are suitable for scaling to volumes on the order of (meters) 3

  11. Subsurface excitations in a metal

    DEFF Research Database (Denmark)

    Ray, M. P.; Lake, R. E.; Sosolik, C. E.

    2009-01-01

    We investigate internal hot carrier excitations in a Au thin film bombarded by hyperthermal and low energy alkali and noble gas ions. Excitations within the thin film of a metal-oxide-semiconductor device are measured revealing that ions whose velocities fall below the classical threshold given...... by the free-electron model of a metal still excite hot carriers. Excellent agreement between these results and a nonadiabatic model that accounts for the time-varying ion-surface interaction indicates that the measured excitations are due to semilocalized electrons near the metal surface....

  12. Defect creation in solids by a decay of electronic excitations

    International Nuclear Information System (INIS)

    Klinger, M.I.; Lushchik, Ch.B.; Mashovets, T.V.; Kholodar', G.A.; Shejnkman, M.K.; Ehlango, M.A.; Kievskij Gosudarstvennyj Univ.; AN Ukrainskoj SSR, Kiev. Inst. Poluprovodnikov)

    1985-01-01

    A new type of radiationless transitions in nonmetallic solids accompanied by neither the extraction of a heat nor the luminescence, but by a large (in comparison with the interatomic distance) displacements of a small number of atoms is discussed. A classification is given of the instabilities (electrostatic, electron-vibrational, structural) leading to a creation of the defects in crystalline and glassy solids. The processes of the defect creation, due to both the decay of self-trapped excitions in ionic crystals and the multiple ionization of atoms near the pre-existing charged centres in semiconductor are described. The mechanisms of the complex defects reconstruction in semiconductors by nonequilibrium charge carriers and by an electron-hole recombination are discussed. The role of charge carriers in a thermal defect generation is considered. A mechanism of the peculiar defect creation in glassy semiconductors is discussed

  13. Analysis of Atomic Electronic Excitation in Nonequilibrium Air Plasmas

    International Nuclear Information System (INIS)

    He Xin; Jia Hong-Hui; Yin Hong-Wei; Zhang Hai-Liang; Chang Sheng-Li; Yang Jun-Cai; Dang Wei-Hua

    2014-01-01

    Electronic excitation of atoms is studied in nonequilibrium air plasmas with the electronic temperature between 8000 K and 20000 K. By using the modified Saha—Boltzmann equation, our simplified method takes into account significant radiative processes and strong self-absorption of the vacuum ultraviolet lines. Calculations are carried out at three trajectory points of the Fire II flight experiment. Good agreement with the detailed collisional-radiative model is obtained, and the performance of this method in applications to highly nonequilibrium conditions is better than Park's quasi-steady-state model and Spradian-9.0. A short discussion on the influence of optical thickness of the vacuum ultraviolet radiation is also given. It costs about 2.9 ms on the average to solve one cell of the shock layer on a low cost computer, which shows that the present method is fast and efficient. (physics of gases, plasmas, and electric discharges)

  14. Electron impact excitation of the iron peak element Fe II

    International Nuclear Information System (INIS)

    Ramsbottom, C.A.; Scott, M.P.; Bell, K.L.; McLaughlin, B.M.; Burke, P.G.; Keenan, F.P.; Sunderland, A.G.; Burke, V.M.; Noble, C.J.

    2002-01-01

    Effective collision strengths for electron-impact excitation of Fe II are presented for all sextet-to-quartet transitions among the 38 LS states formed from the basis configurations 3d 6 4s, 3d 7 and 3d 6 4p. A total of 112 individual transitions are considered at electron temperatures in the range 30-100,000 K, encompassing values of importance for applications in astrophysics as well as laboratory plasmas. A limited comparison is made with earlier theoretical work and large differences are found to occur at the temperatures considered. In particular, it is found that the inclusion or omission of some (N+1)-bound configurations in the Hamiltonian matrices describing the collision process can have a huge effect on the resulting effective collision strengths, by up to a factor of four in some cases. (author)

  15. Ultrafast dynamics of electronically excited molecules and clusters

    International Nuclear Information System (INIS)

    Lietard, Aude

    2014-01-01

    This PhD thesis investigated the ultrafast dynamics of photo-chromic molecules and argon clusters in the gas phase at the femtosecond timescale. Pump-probe experiments are performed in a set-up which associates a versatile pulsed molecular beam coupled to a photoelectron/photoion velocity map imager (VMI) and a time-of-flight mass spectrometer (TOF-MS). Theses pump-probe experiments provides the temporal evolution of the electronic distribution for each system of interest. Besides, a modelization has been performed in order to characterize the density and the velocity distribution in the pulsed beam. Regarding the photo-chromic di-thienyl-ethene molecules, parallel electronic relaxation pathways were observed. This contrasts with the observation of sequential relaxation processes in most molecules studied so far. In the present case, the initial wave packet splits in two parts. One part is driven to the ground state at the femtosecond time scale through a conical intersection, and the second part remains for ps in the excited state and experiences oscillations in a suspended well. This study has shed light into the intrinsic dynamics of the molecules under study and a general relaxation mechanism has been proposed, which applies to the whole family of di-thienyl-ethene molecules whatever the state of matter (gas phase or solution) in which they have been investigated. Concerning argon clusters excited at about 14 eV, two behaviors of different time scale have been observed at different time scales. The first one occurs in the first picoseconds of the dynamics. It corresponds to the electronic relaxation of an excitonic state at a rate of 1 eV.ps -1 . The second phenomenon corresponds to the localization of the exciton on the excimer Ar 2 *. This phenomenon is observed 4-5 ps after the excitation. In this study, we also observed the ejection of excited argon atoms, addressing the lifetime of the delocalized excitonic state. This work provide additional informations

  16. Ultrafast electronic relaxation of excited state vitamin B12 in the gas phase

    International Nuclear Information System (INIS)

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoit

    2008-01-01

    The time evolution of electronically excited vitamin B 12 (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states

  17. Coherence, energy and charge transfers in de-excitation pathways of electronic excited state of biomolecules in photosynthesis

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F. Bary

    2013-01-01

    The observed multiple de-excitation pathways of photo-absorbed electronic excited state in the peridinin–chlorophyll complex, involving both energy and charge transfers among its constituents, are analyzed using the bio-Auger (B-A) theory. It is also shown that the usually used F¨orster–Dexter...

  18. Inelastic electron and light scattering from the elementary electronic excitations in quantum wells: Zero magnetic field

    Directory of Open Access Journals (Sweden)

    Manvir S. Kushwaha

    2012-09-01

    Full Text Available The most fundamental approach to an understanding of electronic, optical, and transport phenomena which the condensed matter physics (of conventional as well as nonconventional systems offers is generally founded on two experiments: the inelastic electron scattering and the inelastic light scattering. This work embarks on providing a systematic framework for the theory of inelastic electron scattering and of inelastic light scattering from the electronic excitations in GaAs/Ga1−xAlxAs quantum wells. To this end, we start with the Kubo's correlation function to derive the generalized nonlocal, dynamic dielectric function, and the inverse dielectric function within the framework of Bohm-Pines’ random-phase approximation. This is followed by a thorough development of the theory of inelastic electron scattering and of inelastic light scattering. The methodological part is then subjected to the analytical diagnoses which allow us to sense the subtlety of the analytical results and the importance of their applications. The general analytical results, which know no bounds regarding, e.g., the subband occupancy, are then specified so as to make them applicable to practicality. After trying and testing the eigenfunctions, we compute the density of states, the Fermi energy, the full excitation spectrum made up of intrasubband and intersubband – single-particle and collective (plasmon – excitations, the loss functions for all the principal geometries envisioned for the inelastic electron scattering, and the Raman intensity, which provides a measure of the real transitions induced by the (laser probe, for the inelastic light scattering. It is found that the dominant contribution to both the loss peaks and the Raman peaks comes from the collective (plasmon excitations. As to the single-particle peaks, the analysis indicates a long-lasting lack of quantitative comparison between theory and experiments. It is inferred that the inelastic electron

  19. Electronic excitation of atoms and molecules by electron impact in a linear algebraic, separable potential approach

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.

    1984-01-01

    The linear algebraic, separable potential approach is applied to the electronic excitation of atoms and molecules by electron impact. By representing the exchange and off-diagonal direct terms on a basis, the standard set of coupled inelastic equations is reduced to a set of elastic inhomogeneous equations. The procedure greatly simplifies the formulation by allowing a large portion of the problem to be handled by standard bound-state techniques and by greatly reducing the order of the scattering equations that must be solved. Application is made to the excitation of atomic hydrogen in the three-state close-coupling (1s, 2s, 2p) approximation. (author)

  20. Potassium-intercalated H2Pc films : Alkali-induced electronic and geometrical modifications

    NARCIS (Netherlands)

    Nilson, K.; Ahlund, J.; Shariati, M. -N.; Schiessling, J.; Palmgren, P.; Brena, B.; Gothelid, E.; Hennies, F.; Huismans, Y.; Evangelista, F.; Rudolf, P.; Gothelid, M.; Martensson, N.; Puglia, C.; Åhlund, J.; Göthelid, E.; Göthelid, M.; Mårtensson, N.

    2012-01-01

    X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In

  1. Electron capture into excited states of multi-charged ions

    International Nuclear Information System (INIS)

    Dijkkamp, D.

    1985-01-01

    This thesis deals with charge exchange reactions in slow collisions of multi-charged ions with neutral atoms or molecules. These reactions proceed very efficiently via a curve crossing mechanism, which leads to preferential population of excited states of the ion. The subsequent decay of these states leads to the emission of characteristic radiation. From wavelength resolved measurements of the absolute intensity of this radiation, cross sections for selective population of the excited (n,l-) states of the ion were determined. In addition, for some systems the total capture cross section was measured directly by means of charge state analysis of the secondary projectile ions. The role of charge exchange processes in fusion plasmas and in astrophysical plasmas is indicated. An experimental set-up is described with emphasis on the Electron Cyclotron Resonance Ion Source that was used in the experiments. Results for collisions of C 6+ , N 6+ , O 6+ and Ne 6+ with He, H 2 and Ar are presented as well as for electron capture from Li atoms by C 4+ and He 2+ . The interaction of the iso-electronic sequence C 4+ , N 5+ , O 6+ with atomic hydrogen, molecular hydrogen and helium is studied. First results for partial and total cross sections in collisions of fully stripped carbon, nitrogen and oxygen ions with atomic hydrogen are presented. These data are of particular importance for applications in fusion diagnostics. The data indicate that calculations of both molecular and atomic orbital type yield correct results, if an extended basis set is used. (Auth.)

  2. Benzonitrile: Electron affinity, excited states, and anion solvation

    Science.gov (United States)

    Dixon, Andrew R.; Khuseynov, Dmitry; Sanov, Andrei

    2015-10-01

    We report a negative-ion photoelectron imaging study of benzonitrile and several of its hydrated, oxygenated, and homo-molecularly solvated cluster anions. The photodetachment from the unsolvated benzonitrile anion to the X ˜ 1 A 1 state of the neutral peaks at 58 ± 5 meV. This value is assigned as the vertical detachment energy (VDE) of the valence anion and the upper bound of adiabatic electron affinity (EA) of benzonitrile. The EA of the lowest excited electronic state of benzonitrile, a ˜ 3 A 1 , is determined as 3.41 ± 0.01 eV, corresponding to a 3.35 eV lower bound for the singlet-triplet splitting. The next excited state, the open-shell singlet A ˜ 1 A 1 , is found about an electron-volt above the triplet, with a VDE of 4.45 ± 0.01 eV. These results are in good agreement with ab initio calculations for neutral benzonitrile and its valence anion but do not preclude the existence of a dipole-bound state of similar energy and geometry. The step-wise and cumulative solvation energies of benzonitrile anions by several types of species were determined, including homo-molecular solvation by benzonitrile, hydration by 1-3 waters, oxygenation by 1-3 oxygen molecules, and mixed solvation by various combinations of O2, H2O, and benzonitrile. The plausible structures of the dimer anion of benzonitrile were examined using density functional theory and compared to the experimental observations. It is predicted that the dimer anion favors a stacked geometry capitalizing on the π-π interactions between the two partially charged benzonitrile moieties.

  3. Transition and Electron Impact Excitation Collision Rates for O III

    Science.gov (United States)

    Tayal, S. S.; Zatsarinny, O.

    2017-12-01

    Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

  4. Integral cross sections for electron impact excitation of vibrational and electronic states in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.

  5. Electron-impact excitation of the In+ ion resonance line

    International Nuclear Information System (INIS)

    Gomonai, A.; OvcharenkO, E.; Imre, A.; Hutych, Yu.

    2004-01-01

    Full text: Study of the electron-impact excitation of the In + ion is important not only for atomic structure research, but also for applications to astrophysics, analytical techniques and fusion research, as well as for new applications of this ion such as a component of solid state laser media and as a source for an optical frequency standart. The energy dependence of the electron-impact excitation of the In + ion resonance line was studied by spectroscopic method using the crossed-beam technique in the energy range from the threshold up to 300 eV for the following process: e + In + (4d 10 5s 2 ) 1 S 0 e' + In + (4d 10 5s5p) 1 P 0 1 e' + In + (4d 10 5s 2 ) 1 S 0 +h (1) Process (1) includes the direct electron-impact excitation of the 5s5p 1 P 0 1 state from the ground 5s 2 1 S 0 state, as well as the contribution of the cascade transitions and resonance processes: In + (4d 10 5s nln 1 l 1 , 4d 10 5p 2 nl, 4d 9 5s 2 nln 1 l 1 ) In + (4d 10 5s 2 ) 1 S 0 + e' (2) The peculiarity of this investigation is the presence of low lying metastable states and high temperature (T1250K) of atomic vapour. The ions produced in the ion source on the heated tantalum surface were extracted, focused and accelerated by a system of ion optical lenses into a beam (E i = 700eV, I i (11.4)10 -6 A), separated from neutral atoms by means of a 90 deg electrostatic selector and crossed at the right angle by the ribbon electron beam (E e = (7300)eV, Ie = (610)10 -5 A, 0 1/2 (0.40.5)eV) in the collision region (at P 10 -8 Torr) [1]. Radiation observed at 90 deg with respect to the beam intersection plane was spectrally separated by a 70 deg vacuum monochromator (d/dl = 1.7nm/mm) based on the Seya- Namioka scheme and detected by a photomultiplier. The measurements and experimental data processing were realised by means of a PC. The drop of the energy dependence of the excitation cross section obey the E -1 lnE rule specific for the optically allow transitions. A distinct structure in the energy

  6. Development of neutral beam source using electron beam excited plasma

    International Nuclear Information System (INIS)

    Hara, Yasuhiro; Hamagaki, Manabu; Mise, Takaya; Hara, Tamio

    2011-01-01

    A low-energy neutral beam (NB) source, which consists of an electron-beam-excited plasma (EBEP) source and two carbon electrodes, has been developed for damageless etching of ultra-large-scale integrated (ULSI) devices. It has been confirmed that the Ar ion beam energy was controlled by the acceleration voltage and the beam profile had good uniformity over the diameter of 80 mm. Dry etching of a Si wafer at the floating potential has been carried out by Ar NB. Si sputtering yield by an Ar NB clearly depends on the acceleration voltage. This result shows that the NB has been generated through the charge exchange reaction from the ion beam in the process chamber. (author)

  7. Collisionally excited few-electron systems: theoretical introduction and survey

    International Nuclear Information System (INIS)

    Ford, A.L.; Reading, J.F.; Becker, R.L.

    1982-01-01

    We consider excitation, ionization, and charge transfer in collisions of protons (and antiprotons) with the single-electron targets H, He + , and Li 2+ . These collisions are first compared to other types of ion-atom collisions. A brief review of our own theoretical method is given; in particular we describe how we allow for both large charge transfer and ionization probabilities while retaining the computational efficiency that allows us to consider a variety of collision partners and collision energies. We comment on the comparison of our results to other theoretical work and to experiment. The qualitative features of the various inelastic cross sections are discussed, in particular how they scale with collision energy, target nuclear charge, and the sign of the projectile charge. 15 references, 6 figures

  8. Vibrational excitations in molecular layers probed by ballistic electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kajen, Rasanayagam Sivasayan; Chandrasekhar, Natarajan [Institute of Materials Research and Engineering, 3 Research Link, 117602 (Singapore); Feng Xinliang; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Postfach 3148, D-55021 Mainz (Germany); Su Haibin, E-mail: n-chandra@imre.a-star.edu.sg, E-mail: muellen@mpip-mainz.mpg.de, E-mail: hbsu@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore)

    2011-10-28

    We demonstrate the information on molecular vibrational modes via the second derivative (d{sup 2}I{sub B}/dV{sup 2}) of the ballistic electron emission spectroscopy (BEES) current. The proposed method does not create huge fields as in the case of conventional derivative spectroscopy and maintains a zero bias across the device. BEES studies carried out on three different types of large polycyclic aromatic hydrocarbon (PAH) molecular layers show that the d{sup 2}I{sub B}/dV{sup 2} spectra consist of uniformly spaced peaks corresponding to vibronic excitations. The peak spacing is found to be identical for molecules within the same PAH family though the BEES onset voltage varies for different molecules. In addition, injection into a particular orbital appears to correspond to a specific vibrational mode as the manifestation of the symmetry principle.

  9. Vibrational and electronic excitation of hexatriacontane thin films by low energy electron impact

    International Nuclear Information System (INIS)

    Vilar, M.R.; Schott, M.; Pfluger, P.

    1990-01-01

    Thin polycrystalline films of hexatriacontane (HTC) were irradiated with low energy (E=0.5--15 eV) electrons, and off-specular backscattered electron spectra were measured. Below E∼7 eV, single and multiple vibrational excitations only are observed, which relax the electrons down to the bottom of the HTC conduction band. Due to the negative electron affinity of HTC, thermal electrons are emitted into vacuum. Structure in the backscattered electron current at kinetic energies about 1.5 and 4 eV are associated to conduction band density of states. Above E∼7 eV, the dominant losses correspond to electronic excitations, excitons, or above a threshold (energy of the electron inside the HTC film) at 9.2±0.1 eV, electron--hole pair generation. The latter process is very efficient and reaches a yield of the order of one ∼11 eV. Evidence for chemical reaction above E∼4 eV is observed

  10. Electron excitation cross sections for some Ar I 5d (J = 2) levels

    International Nuclear Information System (INIS)

    Blanco, F.; Sanchez, J.A.; Campos, J.

    1992-01-01

    Absolute excitation cross sections by electron impact for some 5d levels with J = 2 of Ar I have been measured by the optical method. Excitation functions for electron energies in the range from the excitation threshold to 1000 eV are also reported. A delayed coincidence analysis of the de-excitation at 100 eV electron energy allowed for the subtraction of radiative cascades. The resulting excitation cross sections are between 7.3 and 12x10 -20 cm 2 . (author)

  11. Experimental study on the kinetically induced electronic excitation in atomic collisional cascades

    International Nuclear Information System (INIS)

    Meyer, S.

    2006-01-01

    the present thesis deals with the ion-collision-induced electronic excitation of metallic solids. For this for the first time metal-insulator-metal layer systems are used for the detection of this electronic excitation. The here applied aluminium/aluminium oxide/silver layer sytems have barrier heights of 2.4 eV on the aluminium respectively 3.3 eV on the silver side. With the results it could uniquely be shown that the electronic excitation is generated by kinetic processes, this excitation dependenc on the kinetic energy of the colliding particles, and the excitation dependes on the charge state of the projectile

  12. Linear-algebraic approach to electronic excitation of atoms and molecules by electron impact

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.

    1983-01-01

    A linear-algebraic method, based on an integral equations formulation, is applied to the excitation of atoms and molecules by electron impact. Various schemes are devised for treating the one-electron terms that sometimes cause instabilities when directly incorporated into the solution matrix. These include introducing Lagrange undetermined multipliers and correlation terms. Good agreement between the method and other computational techniques is obtained for electron scattering for hydrogenic and Li-like atomic ions and for H 2 + in two- to five-state close-coupling calculations

  13. Bosonic excitations and electron pairing in an electron-doped cuprate superconductor

    Science.gov (United States)

    Wang, M. C.; Yu, H. S.; Xiong, J.; Yang, Y.-F.; Luo, S. N.; Jin, K.; Qi, J.

    2018-04-01

    By applying ultrafast optical spectroscopy to electron-doped La1.9Ce0.1CuO4 ±δ , we discern a bosonic mode of electronic origin and provide the evolution of its coupling with the charge carriers as a function of temperature. Our results show that it has the strongest coupling strength near Tc and can fully account for the superconducting pairing. This mode can be associated with the two-dimensional antiferromagnetic spin correlations emerging below a critical temperature T† larger than Tc. Our work may help to establish a quantitative relation between bosonic excitations and superconducting pairing in electron-doped cuprates.

  14. Electronic band structure in porous silicon studied by photoluminescence and photoluminescence excitation spectroscopy

    International Nuclear Information System (INIS)

    Lee, Ki-Won; Kim, Young-You

    2004-01-01

    In this research, we used photoluminescence (PL) and photoluminescence excitation (PLE) to visualize the electronic band structure in porous silicon (PS). From the combined results of the PLE measurements at various PL emission energies and the PL measurements under excitation at various PLE absorption energies, we infer that three different electronic band structures, originating from different luminescent origins, give rise to the PL spectrum. Through either thermal activation or diffusive transfer, excited carriers are moved to each of the electronic band structures.

  15. Electron-impact-excitation cross sections of hydrogenlike ions

    International Nuclear Information System (INIS)

    Fisher, V.I.; Ralchenko, Y.V.; Bernshtam, V.A.; Goldgirsh, A.; Maron, Y.; Vainshtein, L.A.; Bray, I.; Golten, H.

    1997-01-01

    Convergent close-coupling (CCC) and Coulomb-Born with exchange and normalization (CBE) methods are used to study electron-impact excitation of hydrogenlike ions. The nl→n ' l ' cross sections demonstrate (i) good agreement between the CCC and CBE results, (ii) a scaling over ion nuclear charge z, (iii) a domination of the dipole (l ' =l±1) contributions in total n→n ' cross sections, and (iv) significant effect of electron exchange in the energy range x n,n ' ). For ions with z>5 the n→n ' cross sections obtained in the CCC and CBE approximations agree with each other to better than 10% for any x. An accuracy of the cross sections scaling over z 4 depends on z: for z=6 endash 18 the scaling is accurate to better than 10% (quantitative analysis is done for n ' 4 scaling more significantly (at x about unity). The n→n ' cross sections are presented by a formula which fits our CCC and CBE results with an accuracy to better than 10% (for transitions with n ' 5). The new Gaunt factor G(x) suggested for the widely used Van Regemorter formula [Astrophys. J. 136, 906 (1962)] makes this formula accurate to better than 50% in the x>3 range and to better than 20% in the x>100 range. It is shown that the semiempirical formula by Vainshtein, Sobelman, and Yukov provides an accuracy to better than 50% for any incident electron energy. For x<2 this formula is accurate to better than 30%. These accuracy assessments are based on a comparison with our CCC and CBE results. copyright 1997 The American Physical Society

  16. A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

    Energy Technology Data Exchange (ETDEWEB)

    Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa (Italy); Koch, Henrik [Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Cappelli, Chiara [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi, 3 I-56124 Pisa (Italy)

    2014-12-14

    In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π{sup *}, π-π{sup *}, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

  17. Electronic Correlations, Jahn-Teller Distortions and Mott Transition to Superconductivity in Alkali-C60 Compounds

    Directory of Open Access Journals (Sweden)

    Alloul H.

    2012-03-01

    Full Text Available The discovery in 1991 of high temperature superconductivity (SC in A3C60 compounds, where A is an alkali ion, has been rapidly ascribed to a BCS mechanism, in which the pairing is mediated by on ball optical phonon modes. While this has lead to consider that electronic correlations were not important in these compounds, further studies of various AnC60 with n=1, 2, 4 allowed to evidence that their electronic properties cannot be explained by a simple progressive band filling of the C60 six-fold degenerate t1u molecular level. This could only be ascribed to the simultaneous influence of electron correlations and Jahn-Teller Distortions (JTD of the C60 ball, which energetically favour evenly charged C60 molecules. This is underlined by the recent discovery of two expanded fulleride Cs3C60 isomeric phases which are Mott insulators at ambient pressure. Both phases undergo a pressure induced first order Mott transition to SC with a (p, T phase diagram displaying a dome shaped SC, a common situation encountered nowadays in correlated electron systems. NMR experiments allowed us to study the magnetic properties of the Mott phases and to evidence clear deviations from BCS expectations near the Mott transition. So, although SC involves an electron-phonon mechanism, the incidence of electron correlations has an importance on the electronic properties, as had been anticipated from DMFT calculations.

  18. Mobile interstitial model and mobile electron model of mechano-induced luminescence in coloured alkali halide crystals

    International Nuclear Information System (INIS)

    Chandra, B.P.; Singh, Seema; Ojha, Bharti; Shrivastava, R.G.

    1996-01-01

    A theoretical study is made on the mobile interstitial and mobile electron models of mechano-induced luminescence in coloured alkali halide crystals. Equations derived indicate that the mechanoluminescence intensity should depend on several factors like strain rate, applied stress, temperature, density of F-centres and volume of crystal. The equations also involve the efficiency and decay time of mechanoluminescence. Results of mobile interstitial and mobile electron models are compared with the experimental observations, which indicated that the latter is more suitable as compared to the former. From the temperature dependence of ML, the energy gaps between the dislocation band and ground state of F-centre is calculated which are 0.08, 0.072 and 0.09 eV for KCl, KBr and NaCl crystals, respectively. The theory predicts that the decay of ML intensity is related to the process of stress relaxation in crystals. (author). 33 refs., 5 figs., 1 tab

  19. Excitation and ionization of highly charged ions by electron impact

    International Nuclear Information System (INIS)

    Sampson, D.H.

    1989-01-01

    Two approaches for very rapid calculation of atomic data for high temperature plasma modeling have been developed. The first uses hydrogenic basis states and has been developed and applied in many papers discussed in previous progress reports. Hence, it is only briefly discussed here. The second is a very rapid, yet accurate, fully relativistic approach that has been developed over the past two or three years. It is described in more detail. Recently it has been applied to large scale production of atomic data. Specifically, it has been used to calculate relativistic distorted wave collision strengths and oscillator strengths for the following: all transitions from the ground level to the n=3 and 4 excited levels in the 71 Neon-like ions with nuclear charge number Z in the range 22 ≤ Z ≤ 92; all transitions among the 2s 1/2 , 2p 1/2 and 2p 3/2 levels and from them to all nlj levels with n=3,4 and 5 in the 85 Li-like ions with 8 ≤ Z ≤ 92; all transitions among the 3s 1/2 , 3p 3/2 , 3d 3/2 and 3d 5/2 levels and from them to all nlj levels with n=4 and 5 in the 71 Na-like ions with 22 ≤ Z ≤ 92; and all transitions among 4s 1/2 , 4p 1/2 , 4p 3/2 , 4d 3/2 , 4d 5/2 , 4f 5/2 and 4f 7/2 levels and from them to all nlj levels with n=5 in the 33 Cu-like ions with 60 ≤ Z ≤ 92. Also the program has been extended to give cross-sections for excitation to specific magnetic sublevels of the target ion by an electron beam and very recently it has been extended to give relativistic distorted wave cross sections for ionization of highly charged ions by electron impact

  20. Nuclear Excitation by Electronic Transition of U-235

    Energy Technology Data Exchange (ETDEWEB)

    Chodash, Perry Adam [Univ. of California, Berkeley, CA (United States)

    2015-07-14

    Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is theorized to occur in numerous isotopes. One isotope in particular, 235U, has been studied several times over the past 40 years and NEET of 235U has never been conclusively observed. These past experiments generated con icting results with some experiments claiming to observe NEET of 235U and others setting limits for the NEET rate. This dissertation discusses the latest attempt to measure NEET of 235U. If NEET of 235U were to occur, 235mU would be created. 235mU decays by internal conversion with a decay energy of 76 eV and a half-life of 26 minutes. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 789 mJ and a pulse width of 9 ns was used to generate a uranium plasma. The plasma was captured on a catcher plate and electrons emitted from the catcher plate were accelerated and focused onto a microchannel plate detector. A decay of 26 minutes would suggest the creation of 235mU and the possibility that NEET occurred. However, measurements performed using a variety of uranium targets spanning depleted uranium up to 99.4% enriched uranium did not observe a 26 minute decay. Numerous other decays were observed with half-lives ranging from minutes up to hundreds of minutes. While NEET of 235U was not observed during this experiment, an upper limit for the NEET rate of 235U was determined. In addition, explanations for the con icting results from previous experiments are given. Based on the results of this experiment and the previous experiments looking for NEET of 235U, it is likely that NEET of 235U has never been observed.

  1. Electron-phonon relaxation and excited electron distribution in gallium nitride

    Energy Technology Data Exchange (ETDEWEB)

    Zhukov, V. P. [Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Pervomayskaya st. 91, Yekaterinburg (Russian Federation); Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tyuterev, V. G., E-mail: valtyut00@mail.ru [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tomsk State Pedagogical University, Kievskaya st. 60, Tomsk (Russian Federation); Tomsk State University, Lenin st. 36, Tomsk (Russian Federation); Chulkov, E. V. [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tomsk State University, Lenin st. 36, Tomsk (Russian Federation); Departamento de Fisica de Materiales, Facultad de Ciencias Qumicas, UPV/EHU and Centro de Fisica de Materiales CFM-MPC and Centro Mixto CSIC-UPV/EHU, Apdo. 1072, 20080 San Sebastian (Spain); Echenique, P. M. [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Qumicas, UPV/EHU and Centro de Fisica de Materiales CFM-MPC and Centro Mixto CSIC-UPV/EHU, Apdo. 1072, 20080 San Sebastian (Spain)

    2016-08-28

    We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.

  2. Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

    Science.gov (United States)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; do N. Varella, M. T.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Limão-Vieira, P.; Brunger, M. J.

    2016-03-01

    We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10° and 90°. The energy resolution of those experiments was typically ˜80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.

  3. Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

    International Nuclear Information System (INIS)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N; Bettega, M. H. F.; Lima, M. A. P.; García, G.

    2016-01-01

    We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C 5 H 4 O 2 ). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C 5 H 4 O 2 . The measurements were carried out at energies in the range 20–40 eV, and for scattered-electron angles between 10° and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6–50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.

  4. Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Neves, R. F. C. [Instituto Federal do Sul de Minas Gerais, Câmpus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, UFJF, Juiz de Fora, Minas Gerais 36036-900 (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, Minas Gerais 36036-900 (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, São Paulo 09210-580 (Brazil); Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, São Paulo 13083-859 (Brazil); Varella, M. T. do N [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990 (Brazil); Lima, M. A. P., E-mail: maplima@ifi.unicamp.br [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, São Paulo 13083-859 (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

    2016-03-28

    We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C{sub 5}H{sub 4}O{sub 2}). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C{sub 5}H{sub 4}O{sub 2}. The measurements were carried out at energies in the range 20–40 eV, and for scattered-electron angles between 10° and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6–50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.

  5. Ab Initio Study of Electronic Excitation Effects on SrTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Shijun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Zhang, Yanwen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States); Weber, William J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

    2017-11-14

    Interaction of energetic ions or lasers with solids often induces electronic excitations that may modify material properties significantly. In this study, effects of electronic excitations on strontium titanate SrTiO3 (STO) are investigated based on first-principles calculations. The lattice structure, electronic properties, lattice vibrational frequencies, and dynamical stabilities are studied in detail. The results suggest that electronic excitation induces charge redistribution that is mainly observed in Ti–O bonds. The electronic band gap increases with increasing electronic excitation, as excitation mainly induces depopulation of Ti 3d states. Phonon analysis indicates that there is a large phonon band gap induced by electronic excitation because of the changes in the vibrational properties of Ti and O atoms. In addition, a new peak appears in the phonon density of states with imaginary frequencies, an indication of lattice instability. Further dynamics simulations confirm that STO undergoes transition to an amorphous structure under strong electronic excitations. In conclusion, the optical properties of STO under electronic excitation are consistent with the evolution of atomic and electronic structures, which suggests a possibility to probe the properties of STO in nonequilibrium state using optical measurement.

  6. Properties of solvated electrons, alkali anions and other species in metal solutions and kinetics of cation and electron exchange reactions. Final report

    International Nuclear Information System (INIS)

    Dye, J.L.

    1979-01-01

    The properties of solutions of alkali metals in amine solvents were studied by optical, ETR, NMR and electrochemical methods. Complexation of the alkali cations by crown ethers and cryptands permitted the preparation of concentrated solutions of alkali metals in amine and ether solvents. Extensive alkali metal NMR studies of the exchange of M + with crown-ethers and cryptands and of the alkali metal anion, M - , were made. The first crystalline salt of an alkali metal anion, Na + Cryptand [2.2.2]Na - was synthesized and characterized and led to the preparation of other alkali metal anion salts. This research provided the foundation for continuing studies of crystalline alkalide salts

  7. submitter Measurement of LYSO Intrinsic Light Yield Using Electron Excitation

    CERN Document Server

    Martinez Turtos, Rosana; Pizzichemi, Marco; Ghezzi, Alessio; Pauwels, Kristof; Auffray, Etiennette; Lecoq, Paul; Paganoni, Marco

    2016-01-01

    The determination of the intrinsic light yield $(LY_{int})$ of scintillating crystals, i.e. number of optical photons created per amount of energy deposited, constitutes a key factor in order to characterize and optimize their energy and time resolution. However, until now measurements of this quantity are affected by large uncertainties and often rely on corrections for bulk absorption and surface/edge state. The novel idea presented in this contribution is based on the confinement of the scintillation emission in the central upper part of a 10 mm cubic crystal using a 1.5 MeV electron beam with diameter of 1 mm. A black non-reflective pinhole aligned with the excitation point is used to fix the light extraction solid angle (narrower than total reflection angle), which then sets a light cone travel path through the crystal. The final number of photoelectrons detected using a Hamamatsu R2059 photomultiplier tube (PMT) was corrected for the extraction solid angle, the Fresnel reflection coefficient and quantum...

  8. Differential cross sections for electron impact excitation of the electronic bands of phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

    2015-03-14

    We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C{sub 6}H{sub 5}OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C{sub 6}H{sub 5}OH. The measurements were carried out at energies in the range 15–40 eV, and for scattered-electron angles between 10{sup ∘} and 90{sup ∘}. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI.

  9. Electron-phonon contribution to the phonon and excited electron (hole) linewidths in bulk Pd

    International Nuclear Information System (INIS)

    Sklyadneva, I Yu; Leonardo, A; Echenique, P M; Eremeev, S V; Chulkov, E V

    2006-01-01

    We present an ab initio study of the electron-phonon (e-ph) coupling and its contribution to the phonon linewidths and to the lifetime broadening of excited electron and hole states in bulk Pd. The calculations, based on density-functional theory, were carried out using a linear-response approach in the plane-wave pseudopotential representation. The obtained results for the Eliashberg spectral function α 2 F(ω), e-ph coupling constant λ, and the contribution to the lifetime broadening, Γ e-ph , show strong dependence on both the energy and momentum of an electron (hole) state. The calculation of phonon linewidths gives, in agreement with experimental observations, an anomalously large broadening for the transverse phonon mode T 1 in the Σ direction. In addition, this mode is found to contribute most strongly to the electron-phonon scattering processes on the Fermi surface

  10. Electron excitation relaxation in wide-gap single crystal insulators under swift heavy-ion irradiation

    International Nuclear Information System (INIS)

    Yavlinskii, Yu.N.

    2000-01-01

    A heavy, multicharged ion moving in a solid interacts with nuclei and electrons of the matter atoms. If the projectile velocity exceeds the typical orbital velocity of the target electrons, the main process is excitation of the electronic subsystem, i.e., excitation and ionization of bound electrons. Initially, relaxation of the electron excitations results from electronic processes alone, and energy transfer from electrons to lattice happens later. Since free charge carriers are absent in insulators before irradiation, the motion of the excited electrons is possible only together with holes. Due to inner pressure of the electron-hole plasma the expansion takes place. The velocity of the expansion is determined by the heat velocity of electron-hole pairs. As the excitation region expands, the density of the electron-hole pairs decreases, the average distance between pairs increases, and excitons are produced. The expansion can be terminated in the time t≅10 -13 s, when, due to the electron-phonon interaction, self-trapped holes (and excitons) are formed. The annihilation of the trapped excitons gives rise to Frenkel defects. The set of equations comprising the continuity equation, the Euler equation and energy conservation is considered. The analytic dependence on time of the electron temperature and the radius of the excitation region is derived. The observation of projectile traces in a target is discussed in the single projectile regime

  11. A technique for the measurement of electron attachment to short-lived excited species

    International Nuclear Information System (INIS)

    Christophorou, L.G.; Pinnaduwage, L.A.; Bitouni, A.P.

    1990-01-01

    A technique is described for the measurement of electron attachment to short-lived (approx-lt 10 -9 s) excited species. Preliminary results are presented for photoenhanced electron attachment to short-lived electronically-excited states of triethylamine molecules produced by laser two-photon excitation. The attachment cross sections for these excited states are estimated to be >10 -11 cm 2 and are ∼10 7 larger compared to those for the unexcited (ground-state) molecules. 8 refs., 4 figs

  12. Effect of vacuum polarization on the excitation of hydrogen atom by electron impact

    Directory of Open Access Journals (Sweden)

    Sujata Bhattacharyya

    1981-01-01

    for 1S−2S excitation of the hydrogen atom by electron impact. The excitation amplitude calculated field theoretically is found to be lowered by 0.47t2/(t2+93 where t2=4|P−Q|2, P and Q being the momenta of the incident and scattered electrons respectively.

  13. Anisotropy of electronic states excited in ion-atom collisions

    International Nuclear Information System (INIS)

    Boskamp, E.B.

    1983-01-01

    The author reports coincidence measurements made on the He + + Ne and He + + He systems. The complex population amplitudes for the magnetic sublevels of the investigated excited states, Ne(2p 4 3s 2 ) 1 D and He(2p 2 ) 1 D, were completely determined and possible excitation mechanisms are described. (Auth.)

  14. Two-electron excitation in slow ion-atom collisions: Excitation mechanisms and interferences among autoionizing states

    International Nuclear Information System (INIS)

    Kimura, M.; Rice Univ., Houston, TX

    1990-01-01

    The two-electron capture or excitation process resulting from collisions of H + and O 6+ ions with He atoms in the energy range from 0.5 keV/amu to 5 keV/amu is studied within a molecular representation. The collision dynamics for formation of doubly excited O 4+ ions and He** atoms and their (n ell, n'ell ') populations are analyzed in conjunction with electron correlations. Autoionizing states thus formed decay through the Auger process. An experimental study of an ejected electron energy spectrum shows ample structures in addition to two characteristic peaks that are identified by atomic and molecular autoionizations. These structures are attributable to various interferences among electronic states and trajectories. We examine the dominant sources of the interferences. 12 refs., 5 figs

  15. Enhanced brightness of organic light-emitting diodes based on Mg:Ag cathode using alkali metal chlorides as an electron injection layer

    International Nuclear Information System (INIS)

    Zou Ye; Deng Zhenbo; Xu Denghui; Lü Zhaoyue; Yin Yuehong; Du Hailiang; Chen Zheng; Wang Yongsheng

    2012-01-01

    Different thicknesses of cesium chloride (CsCl) and various alkali metal chlorides were inserted into organic light-emitting diodes (OLEDs) as electron injection layers (EILs). The basic structure of OLED is indium tin oxide (ITO)/N,N′-diphenyl-N,N′-bis(1-napthyl-phenyl)-1.1′-biphenyl-4.4′-diamine (NPB)/tris-(8-hydroxyquinoline) aluminum (Alq 3 )/Mg:Ag/Ag. The electroluminescent (EL) performance curves show that both the brightness and efficiency of the OLEDs can be obviously enhanced by using a thin alkali metal chloride layer as an EIL. The electron injection barrier height between the Alq 3 layer and Mg:Ag cathode is reduced by inserting a thin alkali metal chloride as an EIL, which results in enhanced electron injection and electron current. Therefore, a better balance of hole and electron currents at the emissive interface is achieved and consequently the brightness and efficiency of OLEDs are improved. - Highlights: ► Alkaline metal chlorides were used as electron injection layers in organic light-emitting diodes based on Mg:Ag cathode. ► Brightness and efficiency of OLEDs with alkaline metal chlorides as electron injection layers were all greatly enhanced. ► The Improved OLED performance was attributed to the possible interfacial chemical reaction. ► Electron-only devices are fabricated to demonstrate the electron injection enhancement.

  16. Ab initio study on electron excitation and electron transfer in tryptophan-tyrosine system

    International Nuclear Information System (INIS)

    Tong Jing; Li Xiangyuan

    2002-01-01

    In this article, ab initio calculation has been performed to evaluate the transition energy of electronic excitation in tryptophan and tyrosine by using semiempirical molecular orbital method AM1 and complete active space self-consistent field method. The solvent effect has been considered by means of the conductor-like screening model. After geometric optimizations of isolated tryptophan and tyrosine, and their corresponding radicals and cations, reaction heat of these electron transfer reactions have been obtained by the means of complete active space self-consistent field method. The transition energies from the ground state, respectively, to the lowest excited state and to the lowest triplet state of these two amino acids are also calculated and compared with the experimentally observed values. The ionization potential and electron affinity are also calculated for tryptophan and tyrosine employing Koopmans' theorem and ab initio calculation. Compared with the experimental measurements, the theoretical results are found satisfactory. Theoretical results give good explanations on the experimental phenomena that N 3 · can preferably oxide the side chain of tryptophan residue and then the electron transfer from tyrosine residue to tryptophan residue follows in peptides involving tryptophan and tyrosine

  17. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

    Science.gov (United States)

    Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

    2018-04-05

    The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

  18. Electron-helium S-wave model benchmark calculations. II. Double ionization, single ionization with excitation, and double excitation

    Science.gov (United States)

    Bartlett, Philip L.; Stelbovics, Andris T.

    2010-02-01

    The propagating exterior complex scaling (PECS) method is extended to all four-body processes in electron impact on helium in an S-wave model. Total and energy-differential cross sections are presented with benchmark accuracy for double ionization, single ionization with excitation, and double excitation (to autoionizing states) for incident-electron energies from threshold to 500 eV. While the PECS three-body cross sections for this model given in the preceding article [Phys. Rev. A 81, 022715 (2010)] are in good agreement with other methods, there are considerable discrepancies for these four-body processes. With this model we demonstrate the suitability of the PECS method for the complete solution of the electron-helium system.

  19. Quantification of entanglement entropies for doubly excited resonance states in two-electron atomic systems

    International Nuclear Information System (INIS)

    Ho, Yew Kam; Lin, Chien-Hao

    2015-01-01

    In this work, we study the quantum entanglement for doubly excited resonance states in two-electron atomic systems such as the H - and Ps - ions and the He atom by using highly correlated Hylleraas type functions The resonance states are determined by calculation of density of resonance states with the stabilization method. The spatial (electron-electron orbital) entanglement entropies (linear and von Neumann) for the low-lying doubly excited states are quantified using the Schmidt-Slater decomposition method. (paper)

  20. Modification of the method of polarized orbitals for electron--alkali-metal scattering: Application to e-Li

    International Nuclear Information System (INIS)

    Bhatia, A.K.; Temkin, A.; Silver, A.; Sullivan, E.C.

    1978-01-01

    The method of polarized orbitals is modified to treat low-energy scattering of electrons from highly polarizable systems, specifically alkali-metal atoms. The modification is carried out in the particular context of the e-Li system, but the procedure is general; it consists of modifying the polarized orbital, so that when used in the otherwise orthodox form of the method, it gives (i) the correct electron affinity of the negative ion (in this case Li - ), (ii) the proper (i.e., Levinson-Swan) number of nodes of the associated zero-energy scattering orbital, and (iii) the correct polarizability. A procedure is devised whereby the scattering length can be calculated from the (known) electron affinity without solving the bound-state equation. Using this procedure we adduce a 1 S scattering length of 8.69a 0 . (The 3 S scattering length is -9.22a 0 .) The above modifications can also be carried out in the (lesser) exchange adiabatic approximation. However, they lead to qualitatively incorrect 3 S phase shifts. The modified polarized-orbital phase shifts are qualitatively similar to close-coupling and elaborate variational calculations. Quantitative differences from the latter calculations, however, remain; they are manifested most noticeably in the very-low-energy total and differential spin-flip cross sections

  1. Electron-impact excitation rate-coefficients and polarization of subsequent emission for Ar"+ ion

    International Nuclear Information System (INIS)

    Dipti; Srivastava, Rajesh

    2016-01-01

    Electron impact excitation in Ar"+ ions has been studied by using fully relativistic distorted wave theory. Calculations are performed to obtain the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p"5 (J=3/2) to fine-structure levels of excited states 3p"44s, 3p"44p, 3p"45s, 3p"45p, 3p"43d and 3p"44d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. - Highlights: • Fully relativistic distorted wave theory has been used to study the excitation of fine-structure states of Ar"+. • We have calculated electron-impact excitation cross-sections for the wide range of incident electron energies. • Electron impact excitation rate-coefficients are calculated as a function of electron temperature. • Polarization of photons emitted following the decay of the excited fine-structure states are also reported.

  2. Electronic excitations and their effect on the interionic forces in simulations of radiation damage in metals

    International Nuclear Information System (INIS)

    Race, C P; Mason, D R; Sutton, A P

    2009-01-01

    Using time-dependent tight-binding simulations of radiation damage cascades in a model metal we directly investigate the nature of the excitations of a system of quantum mechanical electrons in response to the motion of a set of classical ions. We furthermore investigate the effect of these excitations on the attractive electronic forces between the ions. We find that the electronic excitations are well described by a Fermi-Dirac distribution at some elevated temperature, even in the absence of the direct electron-electron interactions that would be required in order to thermalize a non-equilibrium distribution. We explain this result in terms of the spectrum of characteristic frequencies of the ionic motion. Decomposing the electronic force into four well-defined components within the basis of instantaneous electronic eigenstates, we find that the effect of accumulated excitations in weakening the interionic bonds is mostly (95%) accounted for by a thermal model for the electronic excitations. This result justifies the use of the simplifying assumption of a thermalized electron system in simulations of radiation damage with an electronic temperature dependence and in the development of temperature-dependent classical potentials.

  3. Electronic excitations and their effect on the interionic forces in simulations of radiation damage in metals.

    Science.gov (United States)

    Race, C P; Mason, D R; Sutton, A P

    2009-03-18

    Using time-dependent tight-binding simulations of radiation damage cascades in a model metal we directly investigate the nature of the excitations of a system of quantum mechanical electrons in response to the motion of a set of classical ions. We furthermore investigate the effect of these excitations on the attractive electronic forces between the ions. We find that the electronic excitations are well described by a Fermi-Dirac distribution at some elevated temperature, even in the absence of the direct electron-electron interactions that would be required in order to thermalize a non-equilibrium distribution. We explain this result in terms of the spectrum of characteristic frequencies of the ionic motion. Decomposing the electronic force into four well-defined components within the basis of instantaneous electronic eigenstates, we find that the effect of accumulated excitations in weakening the interionic bonds is mostly (95%) accounted for by a thermal model for the electronic excitations. This result justifies the use of the simplifying assumption of a thermalized electron system in simulations of radiation damage with an electronic temperature dependence and in the development of temperature-dependent classical potentials.

  4. The effect of atoms excited by electron beam on metal evaporation

    CERN Document Server

    Xie Guo Feng; Ying Chun Tong

    2002-01-01

    In atomic vapor laser isotope separation (AVLIS), the metal is heated to melt by electron beams. The vapor atoms may be excited by electrons when flying through the electron beam. The excited atoms may be deexcited by inelastic collision during expansion. The electronic energy transfers translational energy. In order to analyse the effect of reaction between atoms and electron beams on vapor physical parameters, such as density, velocity and temperature, direct-simulation Monte Carlo method (DSMC) is used to simulate the 2-D gadolinium evaporation from long and narrow crucible. The simulation results show that the velocity and temperature of vapor increase, and the density decreases

  5. Dissociative excitation of lithium atom in electron collisions with LiBr molecules

    International Nuclear Information System (INIS)

    Smirnov, Yu.M.

    1998-01-01

    Effective cross sections of the lithium atom dissociative excitation in electron collisions with the LiBr molecules are measured. The measurement error equals 5-12%. The optical functions of the lithium atom dissociative excitation are calculated on the basis of the data obtained

  6. The EMP excitation of radiation by the pulsed relativistic electron beam

    International Nuclear Information System (INIS)

    Balakirev, V.A.; Sidelnikov, G.L.

    1996-01-01

    The mechanisms of excitation of ultra-wideband electromagnetic pulses (EMP) by short pulses of high-current relativistic electron beams were proposed and investigated. It is shown that the transformation efficiency of the bunch kinetic energy to the excited energy of the EMP can be very significant. (author). 2 figs., 4 refs

  7. The EMP excitation of radiation by the pulsed relativistic electron beam

    Energy Technology Data Exchange (ETDEWEB)

    Balakirev, V A; Sidelnikov, G L [Kharkov Inst. of Physics and Technology (Russian Federation)

    1997-12-31

    The mechanisms of excitation of ultra-wideband electromagnetic pulses (EMP) by short pulses of high-current relativistic electron beams were proposed and investigated. It is shown that the transformation efficiency of the bunch kinetic energy to the excited energy of the EMP can be very significant. (author). 2 figs., 4 refs.

  8. Modifications of poly (vinilydene fluoride) under electronic excitations produced by charged particles (heavy ions and electrons)

    International Nuclear Information System (INIS)

    Fina, A.

    1990-04-01

    Some of the physico-chemical properties of organic solids like conductivity or permeation can be improved by irradiation. The aim of this work is to characterize modifications induced in poly (vinylidene fluoride) films (PVDF) by charged particles (ions and electrons), with electronic stopping power, for doses ranging from zero to twenty G-Grays. Influence of dose, density of electronic excitations, and flux (in particles per square centimeter), and the nature of defects induced by the beam, were studied with two methods: X-ray Photoelectron Spectroscopy (or XPS) for surface analysis, and electron Spin Resonance (or ESR) to probe the bulk of the film. Three ranges of doses are revealed in view of experimental results. At lower doses, PVDF undergoes deshydrofluorination induced by desorption; it is a low modifications regime. For intermediate range doses, conjugated carbon backbones of polyene compounds are produced. At higher doses, intermolecular interactions between the resulting fragments give a crosslinked network. For the upper limit of doses used, bond breaking results in a non reversible degradation of PVDF. In this last situation, direct atomic displacement of target atoms, is not negligible [fr

  9. Acceleration of electrons at wakefield excitation by a sequence of relativistic electron bunches in dielectric resonator

    International Nuclear Information System (INIS)

    Kiselev, V.A.; Linnik, A.F.; Mirnyj, V.I.; Onishchenko, I.N.; Uskov, V.V.

    2009-01-01

    Method is proposed to divide a regular sequence of electron bunches into parts of bunches driving wakefield and witness bunches, which should be accelerated. It allows to avoid the necessity of additional electron accelerator for witness bunches producing and the necessity of precision short time techniques of injection phase adjusting. The idea concludes to the frequency detuning between bunches repetition frequency and the frequency of the fundamental mode of excited wakefield. Experiments were carried out on the linear resonant accelerator 'Almaz-2', which injected in the dielectric resonator a sequence of 6000 short bunches of relativistic electrons with energy 4.5 MeV, charge 0.16 nC and duration 60 psec each, the repetition interval 360 ps. Frequency detuning was entered by change of frequency of the master generator of the klystron within the limits of one percent so that the phase taper on the length of bunches sequence achieved 2π. Energy spectra of electrons of bunches sequence, which have been propagated through the dielectric resonator are measured and analyzed

  10. An exciton approach to the excited states of two electron atoms. I Formalism and interpretation

    International Nuclear Information System (INIS)

    Schipper, P.E.

    1985-01-01

    The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair

  11. Excitation and dissociation of molecules by low-energy (0-15 eV) electrons

    International Nuclear Information System (INIS)

    Verhaart, G.J.

    1980-01-01

    The author deals with excitation and dissociation processes which result from the interaction between low-energy (0.15 eV) electrons and molecules. Low-energy electron-impact spectroscopy is used to gain a better knowledge of the electronic structure of halomethanes, ethylene and some of its halogen substituted derivatives, and some more complex organic molecules. (Auth.)

  12. Electron spectroscopy studies of argon K-shell excitation and vacancy cascades

    International Nuclear Information System (INIS)

    Southworth, S.H.; MacDonald, M.A.; LeBrun, T.; Azuma, Y.; Cooper, J.W.

    1995-01-01

    Electron spectroscopy combined with tunable synchrotron radiation has been used for studies of Ar K-shell excitation and vacancy decay processes. In addition, electrons and fluorescent X-rays have been recorded in coincidence to select subsets of the ejected electron spectra. Examples are presented for Ar 1s photoelectrons and KLL and LMM Auger spectra

  13. Compilation of excitation cross sections for He atoms by electron impact

    International Nuclear Information System (INIS)

    Kato, T.; Itikawa, Y.; Sakimoto, K.

    1992-03-01

    Experimental and theoretical data are compiled on the cross section for the excitation of He atoms by electron impact. The available data are compared graphically. The survey of the literature has been made through the end 1991. (author)

  14. What we do and not know about electron impact excitation of atomic hydrogen

    International Nuclear Information System (INIS)

    Callaway, J.

    1982-11-01

    The present state of knowledge derived from both theoretical and experimental information on electron impact excitation of atomic hydrogen is briefly reviewed. Suggestions are made for further calculations and for additional experiments. (author)

  15. Cross sections for the vibrational excitation of the H2 X 1Σ+g(v) levels generated by electron collisional excitation of the higher singlet states

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1991-01-01

    The excitation cross sections, σ(v,v double-prime), for an H 2 molecule initially in any one of the 15 vibrational levels, v belonging to the ground electronic state and excited to a final vibrational level, v double-prime are evaluated for direct excitations via all members of the excited electronic singlet spectrum. Account is taken of predissociation, autoionization, and radiative decay of the excited electronic spectrum that leads to a final population distribution for the ground electronic state, X 1 Σ + g (v double-prime). For v=0, account is taken explicitly of transitions via the B, C, B', and D electronic states in evaluating the cross sections. The additional contribution of excitations via all Rydberg states lying above the D state enhances these cross sections by approximately 10%. For v>0, cross sections are evaluated taking explicit account of transitions through the B and C states; higher singlet excitations enhance these values by 25%. The choice of the reference total cross sections remains a subjective one, causing the values calculated here to have a possible uncertainty of +20% -30% . For excitations occurring within a hydrogen discharge, collisional excitation-ionization events among the intermediate singlet states will effectively quench the v, v double-prime excitation process for discharge densities in excess of the range 10 15 --10 16 electrons/cm -3

  16. First-principles calculations of heat capacities of ultrafast laser-excited electrons in metals

    International Nuclear Information System (INIS)

    Bévillon, E.; Colombier, J.P.; Recoules, V.; Stoian, R.

    2015-01-01

    Ultrafast laser excitation can induce fast increases of the electronic subsystem temperature. The subsequent electronic evolutions in terms of band structure and energy distribution can determine the change of several thermodynamic properties, including one essential for energy deposition; the electronic heat capacity. Using density functional calculations performed at finite electronic temperatures, the electronic heat capacities dependent on electronic temperatures are obtained for a series of metals, including free electron like, transition and noble metals. The effect of exchange and correlation functionals and the presence of semicore electrons on electronic heat capacities are first evaluated and found to be negligible in most cases. Then, we tested the validity of the free electron approaches, varying the number of free electrons per atom. This shows that only simple metals can be correctly fitted with these approaches. For transition metals, the presence of localized d electrons produces a strong deviation toward high energies of the electronic heat capacities, implying that more energy is needed to thermally excite them, compared to free sp electrons. This is attributed to collective excitation effects strengthened by a change of the electronic screening at high temperature

  17. Electronically excited C 2 from laser photodissociated C 60

    Science.gov (United States)

    Arepalli, S.; Scott, C. D.; Nikolaev, P.; Smalley, R. E.

    2000-03-01

    Spectral and transient emission measurements are made of radiation from products of laser excitation of buckminsterfullerene (C 60) vapor diluted in argon at 973 K. The principal radiation is from the Swan band system of C 2 and, at early times, also from a black-body continuum. Transient measurements indicate two characteristic periods of decay 2 and 50 μs long, with characteristic decay times of ˜0.3 and 5 μs, respectively. The first period is thought to be associated with decomposition and radiative cooling of C 60 molecules or nano-sized carbon particles and the second period continues with decomposition products of laser excited C 60, C 58, C 56, etc.

  18. Electron impact excitation of helium in Debye plasma

    Energy Technology Data Exchange (ETDEWEB)

    Diallo, S.; Gomis, L.; Faye, I. G.; Tall, M. S.; Diédhiou, I. [Département de Physique, Faculté des Sciences and Techniques, Université Cheikh Anta Diop, Dakar-Fann (Senegal); Diatta, C. S. [Institut International des Sciences et de Technologie, 28 Avenue des Ambassadeurs Dakar-Fann (Senegal); Zammit, M. [ARC Centre for Antimatter-Matter Studies, Curtin University, GPO Box U1987, Perth, Western Australia 6845 (Australia)

    2015-03-15

    The probability, differential, and integral scattering cross sections of the 1{sup 1}S→2{sup 1}S and 1{sup 1}S→2{sup 1}P transitions of helium have been calculated in the first Born approximation. The projectile-target interactions depending on the temperature and the density of plasma are described by the Debye-Hückel model. Wave functions of the target before and after collision were modeled by non orthogonal Hartree-Fock orbitals. The wave functions parameters are calculated with the Ritz variational method. We improve our unscreened first Born approximation integral cross sections by using the BE-scaled (B stands for binding energy and E excitation energy) method. The second Born approximation has also been used to calculate the excitation cross sections in Debye plasma. Our calculations are compared to other theoretical and experimental results where applicable.

  19. Nuclear-excited Feshbach resonances in the electron scattering from hydrogen halides

    International Nuclear Information System (INIS)

    Knoth, G.; Gote, M.; Radle, M.; Jung, K.; Ehrhardt, H.

    1989-01-01

    The energy dependences of the differential cross sections for the electron impact excitation of the higher vibrational levels (v=2 and v=3) of HF and HCl have been measured. Besides the threshold peak a resonance structure has been observed in the v=3 excitation functions of HF below the cusp structure at the opening of the v=4 channel. This resonance structure is the first experimental proof for the existence of the nuclear-excited Feshbach resonances which are interpreted to be the origin of the threshold peaks in the vibrational excitation channels

  20. Inorganic alkali lead iodide semiconducting APbI3 (A = Li, Na, K, Cs and NH4PbI3 films prepared from solution: Structure, morphology, and electronic structure

    Directory of Open Access Journals (Sweden)

    Eric Mankel

    2016-06-01

    Full Text Available APbI3 alkali lead iodides were prepared from aqueous (A= Na, Cs, ammonium NH4+, and methyl­ammonium CH3NH3+ and acetone (A= Li, K solutions by a self-organization low temperature process. Diffraction analysis revealed that the methylammonium-containing system (MAPbI3 crystallizes into a tetragonal perovskite structure, whereas the alkali and NH4+ systems adopt orthorhombic structures. Morphological inspection confirmed the influence of the cation on the growth mechanism: for A = Cs and NH4+, needle-like crystallites with lengths up to 3–4 mm; for A = K, thin stripes with lengths up to 5–6 mm; and for A = MA+, dodecahedral crystallites were observed. For A = Li and Na, the APbI3 systems typically resulted in polycrystalline aggregates. Optical absorption measurements demonstrated large energy band gaps for the alkali and ammonium systems with values between 2.19 and 2.40 eV. For electronic and chemical characterization by photoelectron spectroscopy, the as-prepared powders were dissolved in di-methylformamide and re-crystallized as thin films on F:SnO2 substrates by spin-coating. The binding energy differences between Pb4f and I3d core levels are highly similar in the investigated systems and close to the value measured for PbI2, indicating similar relative partial charges and formal oxidation states. The binding energies of the alkali ions are in accordance with oxidation state +1. The X-ray excited valence band spectra of the investigated APbI3 systems exhibited similar line shapes in the region between the valence band maximum and 4.5 eV higher binding energy due to common PbI6 octahedra which dominate the electronic structure. While the ionization energy values are quite similar (6.15 ± 0.25 eV, the Fermi-level positions of the unintentionally doped materials vary for different cations and different batches of the same material, which indicates that the position of the Fermi level can be influenced by changing the process parameters.

  1. Defect formation and desorption of metal atoms from alkali halide crystals under low energy electron bombardment studied by optical absorption and mass spectroscopy

    International Nuclear Information System (INIS)

    Seifert, N.R.

    1993-04-01

    This work presents an extensive investigation of electronically induced desorption of ground-state alkali atoms from alkali halides and for the first time correlates directly the desorption with the stability and spatial distribution of the defects formed during bombardment. The electron impact results in the formation of stable F-centers and F-center clusters in the bulk of the crystals. In striking contrast a significant metallization of the surface is observed. Even at temperatures as low as 90 deg C the metallization is achieved within the time resolution of our detection system, which can only be explained by the rapid diffusion of hot holes. Superimposed to the fast and short diffusion of hot holes is the slow F-center diffusion. Measuring the distribution of defects with low energy ion sputtering techniques indicates that at least in the case of LiF the observed diffusion constant of F-centers agrees with values derived by using methods different from that applied here. At low temperatures the formation of F-center clusters and metal on the surface dominates. Colloid formation clearly requires higher temperatures (typically around 200 deg C). This is a strong evidence that efficient F-center diffusion is necessary for the formation of metallic particles (colloids) in the bulk of the crystals. Desorption of alkali atoms from alkali halides at temperatures around room temperature is due to weakly bound alkali atoms. For elevated temperatures the stability of the metallic clusters in the bulk of the crystals (i.e. colloids) are the rate limiting process. (author)

  2. Electronic excitations in metallic systems: from defect annihilation to track formation

    International Nuclear Information System (INIS)

    Dunlop, A.; Lesueur, D.

    1991-01-01

    This paper presents an overview of the effects of high electronic energy deposition in metallic targets irradiated with GeV heavy ions. The main result of these investigations is that high electronic excitations lead to various and sometimes conflicting effects according to the nature of the target: - partial annealing of the defects induced by elastic collisions, - creation of additional disorder, - phase transformation (tracks formation and amorphization), - anisotropic growth. These different effects of high electronic energy deposition in metallic targets are probably manifestations at various degrees of the same basic energy transfer process between the excited electrons and the target atoms. Up to now no theoretical model explains these effects. 24 refs

  3. Differential cross sections for electron-impact vibrational-excitation of tetrahydrofuran at intermediate impact energies

    Energy Technology Data Exchange (ETDEWEB)

    Do, T. P. T. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    We report differential cross sections (DCSs) for electron-impact vibrational-excitation of tetrahydrofuran, at intermediate incident electron energies (15-50 eV) and over the 10°-90° scattered electron angular range. These measurements extend the available DCS data for vibrational excitation for this species, which have previously been obtained at lower incident electron energies (≤20 eV). Where possible, our data are compared to the earlier measurements in the overlapping energy ranges. Here, quite good agreement was generally observed where the measurements overlapped.

  4. Nonequilibrium Dynamics in a Quasi-Two-Dimensional Electron Plasma after Ultrafast Intersubband Excitation

    International Nuclear Information System (INIS)

    Lutgen, S.; Kaindl, R.A.; Woerner, M.; Elsaesser, T.; Hase, A.; Kuenzel, H.; Gulia, M.; Meglio, D.; Lugli, P.

    1996-01-01

    The dynamics of electrons in GaInAs/AlInAs quantum wells is studied after excitation from the n=1 to the n=2 conduction subband. Femtosecond pump-probe experiments demonstrate for the first time athermal distributions of n=1 electrons on a surprisingly long time scale of 2ps. Thermalization involves intersubband scattering of excited electrons via optical phonon emission with a time constant of 1ps and intrasubband Coulomb and phonon scattering. Ensemble Monte Carlo simulations show that the slow electron equilibration results from Pauli blocking and screening of carrier-carrier scattering. copyright 1996 The American Physical Society

  5. The role of the excited electronic states in the C++H2O reaction

    International Nuclear Information System (INIS)

    Flores, Jesus R.; Gonzalez, Adan B.

    2008-01-01

    The electronic excited states of the [COH 2 ] + system have been studied in order to establish their role in the dynamics of the C + +H 2 O→[COH] + +H reaction, which is a prototypical ion-molecule reaction. The most relevant minima and saddle points of the lowest excited state have been determined and energy profiles for the lowest excited doublet and quartet electronic states have been computed along the fragmentation and isomerization coordinates. Also, nonadiabatic coupling strengths between the ground and the first excited state have been computed where they can be large. Our analysis suggests that the first excited state could play an important role in the generation of the formyl isomer, which has been detected in crossed beam experiments [D. M. Sonnenfroh et al., J. Chem. Phys. 83, 3985 (1985)], but could not be explained in quasiclassical trajectory computations [Y. Ishikawa et al., Chem. Phys. Lett. 370, 490 (2003); J. R. Flores, J. Chem. Phys. 125, 164309 (2006)

  6. Electron excitation collision strengths for positive atomic ions: a collection of theoretical data

    International Nuclear Information System (INIS)

    Merts, A.L.; Mann, J.B.; Robb, W.D.; Magee, N.H. Jr.

    1980-03-01

    This report contains data on theoretical and experimental cross sections for electron impact excitation of positive atomic ions. It is an updated and corrected version of a preliminary manuscript which was used during an Atomic Data Workshop on Electron Excitation of Ions held at Los Alamos in November 1978. The current status of quantitative knowledge of collisional excitation collision strengths is shown for highly stripped ions where configuration mixing, relativistic and resonance effects may be important. The results show a reasonably satisfactory state for first-row isoelectronic ions and indicate that a considerable amount of work remains to be done for second-row and heavier ions

  7. Dual structure in the charge excitation spectrum of electron-doped cuprates

    Science.gov (United States)

    Bejas, Matías; Yamase, Hiroyuki; Greco, Andrés

    2017-12-01

    Motivated by the recent resonant x-ray scattering (RXS) and resonant inelastic x-ray scattering (RIXS) experiments for electron-doped cuprates, we study the charge excitation spectrum in a layered t -J model with the long-range Coulomb interaction. We show that the spectrum is not dominated by a specific type of charge excitations, but by different kinds of charge fluctuations, and is characterized by a dual structure in the energy space. Low-energy charge excitations correspond to various types of bond-charge fluctuations driven by the exchange term (J term), whereas high-energy charge excitations are due to usual on-site charge fluctuations and correspond to plasmon excitations above the particle-hole continuum. The interlayer coupling, which is frequently neglected in many theoretical studies, is particularly important to the high-energy charge excitations.

  8. Isomer 103Rh excitation in the electron beam

    International Nuclear Information System (INIS)

    Alpatov, V.G.; Berezkin, V.V.; Vysotskij, S.A.

    1993-01-01

    Rhodium foil targets were irradiated by a beam of electrons from a linear accelerator containing a minor impurity of bremsstrahlung. X-ray and γ-quanta from decay of 103m Rh isomer states were detected. The ratio of isomer cross section activation by bremsstrahlung, formed in the target, and electrons, equals 89. 7 refs.; 3 figs.; 2 tabs

  9. Scattering of electrons by alkali-halide molecules: LiBr and CsCl

    International Nuclear Information System (INIS)

    Vukovic, L.; Zuo, M.; Shen, G.F.; Stumpf, B.; Bederson, B.

    1989-01-01

    We have investigated small-angle electron scattering by highly polar molecules. Recoil experiments are performed at 5 and 20 eV for electrons scattered by LiBr and CsCl, within the shadow of the unscattered molecular beam. Low-angular-range scattering described by the Born approximation for rotating dipoles, combined with different theories for intermediate- and high-angle scattering, are compared with our results. Evaluated total scattering cross sections as well as momentum-transfer and viscosity cross sections are given. A general two-dimensional analysis of the recoil experiment is presented

  10. Insight into the structural, electronic, elastic and optical properties of the alkali hydride compounds, XH (X = Rb and Cs)

    Science.gov (United States)

    Jaradat, Raed; Abu-Jafar, Mohammed; Abdelraziq, Issam; Mousa, Ahmad; Ouahrani, Tarik; Khenata, Rabah

    2018-04-01

    The equilibrium structural parameters, electronic and optical properties of the alkali hydrides RbH and CsH compounds in rock-salt (RS) and cesium chloride (CsCl) structures have been studied using the full-potential linearized augmented plane-wave (FP-LAPW) method. Wu and Cohen generalized gradient approximation (WC-GGA) was used for the exchange-correlation potential to compute the equilibrium structural parameters, such as the lattice constant (a0), the bulk modulus (B) and bulk modulus first order pressure derivative (B'). In addition to the WC-GGA, the modified Becke Johnson (mBJ) scheme has been also used to overcome the underestimation of the band gap energies. RbH and CsH compounds are found to be semiconductors (wide energy-band gap) using the WC-GGA method, while they are insulators using the mBJ-GGA method. Elastic constants, mechanical and thermodynamic properties were obtained by using the IRelast package. RbH and CsH compounds at ambient pressure are mechanically stable in RS and CsCl structures; they satisfy the Born mechanical stability criteria. Elastic constants (Cij), bulk modulus (B), shear modulus (S) and Debye temperatures (θD) of RbH and CsH compounds decrease as the alkali radius increases. The RS structure of these compounds at ambient conditions is mechanically stronger than CsCl structure. RbH and CsH in RS and CsCl structures are suitable as dielectric compounds. The wide direct energy band gap for these compounds make them promising compounds for optoelectronic UV device applications. Both RbH and CsH have a wide absorption region, on the other hand RbH absorption is very huge compared to the CsH absorption, RbH is an excellent absorbent material, maximum absorption regions are located in the middle ultraviolet (MUV) region and far ultraviolet (FUV) region. The absorption coefficient α (w), imaginary part of the dielectric constant ɛ2(w) and the extinction coefficient k(w) vary in the same way. The present calculated results are in

  11. Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

    Science.gov (United States)

    Borgis, Daniel; Rossky, Peter J.; Turi, László

    2007-11-01

    We present a kinetic analysis of the nonadiabatic decay mechanism of an excited state hydrated electron to the ground state. The theoretical treatment is based on a quantized, gap dependent golden rule rate constant formula which describes the nonadiabatic transition rate between two quantum states. The rate formula is expressed in terms of quantum time correlation functions of the energy gap and of the nonadiabatic coupling. These gap dependent quantities are evaluated from three different sets of mixed quantum-classical molecular dynamics simulations of a hydrated electron equilibrated (a) in its ground state, (b) in its first excited state, and (c) on a hypothetical mixed potential energy surface which is the average of the ground and the first excited electronic states. The quantized, gap dependent rate results are applied in a phenomenological kinetic equation which provides the survival probability function of the excited state electron. Although the lifetime of the equilibrated excited state electron is computed to be very short (well under 100fs), the survival probability function for the nonequilibrium process in pump-probe experiments yields an effective excited state lifetime of around 300fs, a value that is consistent with the findings of several experimental groups and previous theoretical estimates.

  12. Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

    International Nuclear Information System (INIS)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

    2014-01-01

    A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

  13. Experimental determination of electron shock excitation cross sections for a singly charged gadolinium ion

    International Nuclear Information System (INIS)

    Smirnov, Yu.M.

    1995-01-01

    The trends observed in the processes of excitation with simultaneous ionization have received little study. This is particularly so for rare-earth elements having electron shells of complex structure and optical spectra very rich in lines. Among the basic factors responsible for such a situation, we should mention two: the difficulty presented by theoretical analysis of the processes discussed and the absence of factual information about the excitation cross sections with simultaneous ionization for the majority of rare-earth elements. The aim of the present work is to investigate the excitation of a singly charged gadolinium ion in the collisions of monokinetic electrons with gadolinium atoms. Up to the present time, only the excitation cross sections of a gadolinium atom have been measured, where investigation of the electron shock excitation of gadolinium atoms in their free state is associated with overcoming large experimental difficulties. About 160 crosss sections for the excitation of a singly charged gadolinium ion were measured and for a third of the cross sections; the energy dependences were recorded for the change in energy of the elecrons from the excitation threshold up to 200 eV. Included are tables of the wavelength, transistion, internal quantum number, the energy of the lowere and upper levels, and the values of cross sections for the charged gadolinium ion. Diagrams of the transistion energy states of Gd (II) and spectroscopy are presented and explained

  14. Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH"+ ion

    International Nuclear Information System (INIS)

    Laporta, V.; Chakrabarti, K.; Celiberto, R.; Janev, R. K.; Mezei, J. Zs.; Niyonzima, S.; Tennyson, J.; Schneider, I.F.

    2017-01-01

    A theoretical study of resonant vibrational excitation, dissociative recombination and dissociative excitation processes of the beryllium monohydride cation, BeH"+ , induced by electron impact, is reported. Full sets of ro-vibrationally-resolved cross sections and of the corresponding Maxwellian rate coefficients are presented for the three processes. Particular emphasis is given to the high-energy behaviour. Potential curves of "2σ"+, "2σ and "2δ symmetries and the corresponding resonance widths, obtained from R-matrix calculations, provide the input for calculations which use a local complex-potential model for resonant collisions in each of the three symmetries. Rotational motion of nuclei and isotopic effects are also discussed. The relevant results are compared with those obtained using a multichannel quantum defect theory method. Full results are available from the Phys4Entry database.

  15. Plasmon excitations in small diamond spheres by fast penetrating electrons

    International Nuclear Information System (INIS)

    Fehlhaber, R.P.; Bursill, L.A.

    1998-01-01

    The hydrodynamic model is used to calculate the excitation probability due to the surface and the volume plasmon of small diamond spheres. The theoretical approach incorporates an impact parameter p 0 and includes all multipole modes; it was first derived by Tran Thoai and Zeitler (1988, Phys. Stat. Sol. (a) 107, 791) who applied it to investigate small aluminium spheres. The aim of the present work is to analyze the multipole modes in detail since certain aspects are screened out due to the large damping factor of a wide band gap material like diamond. Various patterns will be revealed, thus simplifying computational attempts and enhancing the predictability of experimental results. It will finally be shown that using this model, it is possible to determine the grain size to an accuracy of about 1 Angstrom. (authors)

  16. EPR study of electron bombarded alkali- and alkaline-earth halide crystal surfaces

    Science.gov (United States)

    Fryburg, G. C.; Lad, R. A.

    1975-01-01

    An EPR study of electron bombarded LiF, NaCl, KCl, CaF2 and BaF2 polycrystalline surfaces has shown that small metal particles are formed on the surfaces of the crystals. Identification was made from CESR signals. The symmetric line-shape of the signals, even at 77 K, indicated that the particles were less than 0.5 micron in diameter. Signals due to F centers were observed in LiF but not in the other halides. Implications to metal deposition are considered.

  17. Characteristics of Response of Piezoelectric Actuators in Electron Flux Excitation

    Directory of Open Access Journals (Sweden)

    Philip C. Hadinata

    2003-11-01

    Full Text Available In this paper the working parameters of non-contact strain control for piezoelectric ceramics are evaluated. The piezoelectric material functions as an actuator that transforms electrical into mechanical energy, and the electrical input is carried out by electron flux on the positive surface. The sample is exposed to some quasi-static inputs, and its responses are recorded using strain gages. The data shows faster and more stable response in the positive regime, but significantly slower response with drift in the negative regime. An electron collector is introduced on the positive surface to enhance the response in the negative regime. Theoretical analyses of energy transfer and electron movements is discussed, and a string of working conditions for controlling the surface strain of piezoelectric material are given as conclusions.

  18. Calculation of excited vector meson electron widths using QCD sum rules

    International Nuclear Information System (INIS)

    Geshkenbein, B.V.

    1984-01-01

    The sum rules are suggested which allow one to calculate the electron widths of excited vector mesons of the PSI, UPSILON, rho meson family assuming the values of their masses to be known. The calculated values of the electron widths agree with experiment

  19. Two types of charge transfer excitations in low dimensional cuprates: an electron energy-loss study

    Czech Academy of Sciences Publication Activity Database

    Knupfer, M.; Fink, J.; Drechsler, S.-L.; Hayn, R.; Málek, Jiří; Moskvin, A.S.

    137-140, - (2004), s. 469-473 ISSN 0368-2048 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprates * electronic excitations * electron energy-loss spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.069, year: 2004

  20. POSITRON-ELECTRON DECAY OF SI-28, AT AN EXCITATION-ENERGY OF 50-MEV

    NARCIS (Netherlands)

    BUDA, A; BACELAR, JC; BALANDA, A; VANDERPLOEG, H; SUJKOWSKI, Z; VANDERWOUDE, A

    1993-01-01

    The electron-positron pair decay of Si-28 at 50 MeV excitation produced by the isospin T=0 (alpha + Mg-24) and the mixed isospin T=0,1 (He-3 + Mg-25) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI.

  1. Positron-electron decay of 28Si at an excitation energy of 50 MeV

    International Nuclear Information System (INIS)

    Buda, A.; Bacelar, J.C.; Balanda, A.; Ploeg, H. van der; Sujkowski, Z.; Woude, A. van der

    1993-01-01

    The electron-positron pair decay of 28 Si at 50 MeV excitation produced by the isospin T=0 (α+ 24 Mg) and the mixed isospin T=0, 1 ( 3 He+ 25 Mg) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI. (orig.)

  2. TARGET EXCITATION IN BARE ION XE/AR COLLISIONS STUDIED BY ELECTRON TARGET ION COINCIDENCES

    NARCIS (Netherlands)

    DENIJS, G; HOEKSTRA, R; MORGENSTERN, R

    We present electron spectra resulting from collisions of bare ions N-15(7+) and C-13(6+) on Ar and the charge state distribution of target ions resulting from C-13(6+)-Xe collisions. From both type of experiments we find evidence that electron capture accompanied by target excitation is an important

  3. Measurements of electron excitation and recombination for Ne-like Ba46+

    International Nuclear Information System (INIS)

    Marrs, R.E.; Levine, M.A.; Knapp, D.A.; Henderson, J.R.

    1987-07-01

    A new facility at Lawrence Livermore National Laboratory has been used to obtain measurements for electron-impact excitation, dielectronic recombination and radiative recombination for the neon-like Ba 46+ ion. The experimental technique consists of trapping highly charged ions inside the space charge of an electron beam and measuring their x-ray emission spectra

  4. Energy principle for excitations in plasmas with counterstreaming electron flows

    Science.gov (United States)

    Kumar, Atul; Shukla, Chandrasekhar; Das, Amita; Kaw, Predhiman

    2018-05-01

    A relativistic electron beam propagating through plasma induces a return electron current in the system. Such a system of interpenetrating forward and return electron current is susceptible to a host of instabilities. The physics of such instabilities underlies the conversion of the flow kinetic energy to the electromagnetic field energy. Keeping this in view, an energy principle analysis has been enunciated in this paper. Such analyses have been widely utilized earlier in the context of conducting fluids described by MHD model [I. B. Bernstein et al., Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 244(1236), 17-40 (1958)]. Lately, such an approach has been employed for the electrostatic two stream instability for the electron beam plasma system [C. N. Lashmore-Davies, Physics of Plasmas 14(9), 092101 (2007)]. In contrast, it has been shown here that even purely growing mode like Weibel/current filamentation instability for the electron beam plasma system is amenable to such a treatment. The treatment provides an understanding of the energetics associated with the growing mode. The growth rate expression has also been obtained from it. Furthermore, it has been conclusively demonstrated in this paper that for identical values of S4=∑αn0 αv0α 2/n0γ0 α, the growth rate is higher when the counterstreaming beams are symmetric (i.e. S3 = ∑αn0αv 0α/n0γ0α = 0) compared to the case when the two beams are asymmetric (i.e. when S3 is finite). Here, v 0α, n0α and γ0α are the equilibrium velocity, electron density and the relativistic factor for the electron species `α' respectively and n0 = ∑αn0α is the total electron density. Particle - In - Cell simulations have been employed to show that the saturated amplitude of the field energy is also higher in the symmetric case.

  5. Carbon K-shell excitation in small molecules by high-resolution electron impact

    International Nuclear Information System (INIS)

    Tronc, M.; King, G.C.; Read, F.H.

    1979-01-01

    The excitation of 1s carbon electrons has been observed in C0, CH 4 , CF4, C0 2 , COS, C 2 H 2 and C 2 H 4 by means of the electron energy-loss technique with high resolution (70 meV in the 300 eV excitation energy range) and at an incident electron energy of 1.5 keV. The energies, widths and vibrational structures of excited states corresponding to the promotion of 1s carbon electrons to unoccupied valence and Rydberg orbitals have been obtained. The validity of the equivalent-core model, and the role of resonances caused by potential barriers, are discussed. (author)

  6. Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

    Science.gov (United States)

    Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

    2018-03-06

    Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

  7. Excitation of plasma waves by electron guns at the ISEE-1 satellite

    International Nuclear Information System (INIS)

    Lebreton, Zh.P.; Torbert, R.; Anderson, R.; Kharvi, K.

    1985-01-01

    Study of the effects resulting from excitation of plasma waves by electron beams injected from JSEE-1 satellite is carried out. Cases of the satellite traversing the magnetosphere magnetosheath and solar wind are considered. 10-60 μA and 0-40 V electron beam injection from the satellite increased electrostatic waves spectral intensity. The waves below ionic plasma frequency are interpreted as ion acoustic waves. To explain the-above-electron-plasma-frequency wave oscillation a communication system between electron plasma mode and electron flux with the velocities above the mean thermal velocity of plasma cold electrons is suggested

  8. Three phase carbon EOS model with electronic excitation

    International Nuclear Information System (INIS)

    van Thiel, M.; Ree, F.H.; Grover, R.

    1987-07-01

    A simple and rapid way for computing EOS data of multiphase solids with a liquid phase is described with emphasis on carbon. The method uses a scaling model for the liquid phase and includes a provision for electronic effects. The free energy minimum determines the stable phase

  9. The interaction of swift electrons with surface excitations

    International Nuclear Information System (INIS)

    Ritchie, R.H.; Tennessee Univ., Knoxville, TN

    1992-01-01

    For many decades swift electrons have comprised a powerful tool for the study of the dynamical properties of condensed matter. The development of this technique has involved much important physics. Here we sketch the historical background of the field and some important developments in theory and experiment. Possible directions for future research are indicated

  10. Radial electron beam laser excitation: the REBLE report

    International Nuclear Information System (INIS)

    Ramirez, J.J.; Prestwich, K.R.

    1978-10-01

    The results of an investigation of techniques to generate high-power radially converging electron beams and the application of these beams to gas lasers is discussed. The design and performance of the REBLE accelerator that was developed for this program is presented. Reliable operation of the radial diode has been obtained at levels up to 1 MV, 200 kA, and 20 ns. It has been demonstrated that the anode current density can be made uniform to better than 15% over 1000 cm 2 areas with 100 to 250 A/cm 2 intensities. The measured total and spatially resolved energy deposition of this radial electron beam in various gases is compared with Monte Carlo calculations. In most cases, these codes give an accurate description of the beam transport and energy deposition. With the electron beam pumping xenon gas, the amplitude of xenon excimer radiation (1720 A 0 ) was radially uniform to within the experimental uncertainty. The efficiency of converting deposited electron beam energy to xenon excimer radiation was 20%

  11. Quantitative Measurements of Electronically Excited CH Concentration in Normal Gravity and Microgravity Coflow Laminar Diffusion Flames

    Science.gov (United States)

    Giassi, D.; Cao, S.; Stocker, D. P.; Takahashi, F.; Bennett, B. A. V.; Smooke, M. D.; Long, M. B.

    2015-01-01

    With the conclusion of the SLICE campaign aboard the ISS in 2012, a large amount of data was made available for the analysis of the effect of microgravity on laminar coflow diffusion flames. Previous work focused on the study of sooty flames in microgravity as well as the ability of numerical models to predict its formation in a simplified buoyancy-free environment. The current work shifts the investigation to soot-free flames, putting an emphasis on the chemiluminescence emission from electronically excited CH (CH*). This radical species is of significant interest in combustion studies: it has been shown that the electronically excited CH spatial distribution is indicative of the flame front position and, given the relatively simple diagnostic involved with its measurement, several works have been done trying to understand the ability of electronically excited CH chemiluminescence to predict the total and local flame heat release rate. In this work, a subset of the SLICE nitrogen-diluted methane flames has been considered, and the effect of fuel and coflow velocity on electronically excited CH concentration is discussed and compared with both normal gravity results and numerical simulations. Experimentally, the spectral characterization of the DSLR color camera used to acquire the flame images allowed the signal collected by the blue channel to be considered representative of the electronically excited CH emission centered around 431 nm. Due to the axisymmetric flame structure, an Abel deconvolution of the line-of-sight chemiluminescence was used to obtain the radial intensity profile and, thanks to an absolute light intensity calibration, a quantification of the electronically excited CH concentration was possible. Results show that, in microgravity, the maximum flame electronically excited CH concentration increases with the coflow velocity, but it is weakly dependent on the fuel velocity; normal gravity flames, if not lifted, tend to follow the same trend

  12. Resonant Electron capture for be-like ions with K- and L- shell excitations

    International Nuclear Information System (INIS)

    Hanafy, H.

    2005-01-01

    Resonant electron capture in electron-ion collisions is known as dielectronic recombination (DR). It was proved that, DR dominants usually over radiative recombination (RR) at high energy. Since 1980's, DR is considered a very important process in thermal plasma. The DR is an effective process in self-cooling and ionization balance as well as plasma modeling. Experimental works are still carried out to understand the trends of DR process. In the present work, DR cross sections are calculated for Be-like ions with K- and L- shell excitations. It is found that, DR cross sections increase as the effective charge (Zeff) increases for both types of excitations. DR rates coefficient in case of L-shell excitation is found to be five times larger than that of K-shell excitation

  13. Investigation of Multiconfigurational Short-Range Density Functional Theory for Electronic Excitations in Organic Molecules

    DEFF Research Database (Denmark)

    Hubert, Mickaël; Hedegård, Erik D.; Jensen, Hans Jørgen Aa

    2016-01-01

    -srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2......Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become...... and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC...

  14. 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

  15. Calculation of the differential cross sections of excitation and ionization of a helium atom by electrons

    International Nuclear Information System (INIS)

    Demkin, V.P.; Pecheritsyn, A.A.

    1995-01-01

    Equations for the amplitudes and differential cross sections of electronic excitation and ionization of a helium atom are derived in the approximation of a open-quotes frozenclose quotes ion core. The wave functions of the discrete states are chosen in the form of generalized hydrogenlike orbitals. The radial wave functions of the continuous spectrum are determined by solving the equation of motion numerically. The differential excitation cross sections of excitation of the 2p, 3p, and 4p levels and ionization of a helium atom by electrons are calculated in the energy range up to 50 eV. Estimates are obtained for the nonorthogonal wave functions in the amplitudes of the excitation and ionization processes. It is shown that the given method is more compatible with experiment than the Born method

  16. Single Production of Excited Neutrino at Clic based Electron Photon Colliders

    International Nuclear Information System (INIS)

    Kirca, Z.

    2004-01-01

    The discovery of excited quarks and leptons, as predicted by composite models, would supply convincing evidence for substructure of fermions. Electron-photon interactions at very high energies provide ideal conditions to look for excited states of first generations offermions. In particular, in magnetic- transition coupling the electron to a gauge bo son would allow for single production of excited neutrinos (ν * ) through t-channel W boson exchange. In this work, (ν * ) production followed by the electroweak radiative decays ν * →νγ, ν * →eW, ν * →νZ is presented. The production cross sections and P T distributions of excited neutrino are studied for CLlC

  17. Surface excitation correction of electron IMFP of selected polymers

    International Nuclear Information System (INIS)

    Gergely, G.; Orosz, G.T.; Lesiak, B.; Jablonski, A.; Toth, J.; Varga, D.

    2004-01-01

    Complete text of publication follows. The IMFP [1] of selected polymers: polythiophenes, polyanilines, polyethylene (PE) [2] was determined by EPES [3] experiments, using Si, Ge and Ag (for PE) reference samples. Experiments were evaluated by Monte Carlo (MC) simulations [1] applying the NIST 64 (1996 and 2002) databases and IMFP data of Tanuma and Gries [1]. The integrated experimental elastic peak ratios of sample and reference are different from those calculated by Monte Carlo (MC) simulation [1]. The difference was attributed to the difference of surface excitation parameters (SEP) [4] of the sample and reference. The SEP parameters of the reference samples were taken from Chen and Werner. A new procedure was developed for experimental determination of the SEP parameters of polymer samples. It is a trial and error method for optimising the SEP correction of the IMFP and the correction of experimental elastic peak ratio [4]. Experiments made with a HSA spectrometer [5] covered the E = 0.2-2 keV energy range. The improvements with SEP correction appears in reduc- ing the difference between the corrected and MC calculated IMFPs, assuming Gries and Tanuma's et al IMFPs [1] for polymers and standard respectively. The experimental peak areas were corrected for the hydrogen peak. For the direct detection of hydrogen see Ref. [6] and [7]. Results obtained with the different NIST 64 databases and atomic potentials [8] are presented. This work was supported by the Hungarian Science Foundation of OTKA: T037709 and T038016. (author)

  18. Hyperspherical approach to double-electron excitation of He by fast-ion impact

    International Nuclear Information System (INIS)

    Moribayashi, K.; Hino, K.; Matsuzawa, M.; Kimura, M.

    1991-01-01

    Double-electron-excitation processes of He atoms by proton, antiproton, and C 6+ -ion impact have been theoretically investigated using the second-order Born approximation and the close-coupling method in the energy regime of MeV/u. The semiclassical impact-parameter method with a straight-line-trajectory approximation is employed to describe the collision processes. Hyperspherical wave functions are adopted to take full account of the strongly correlated motion of two atomic electrons in He. For proton and antiproton impact, it is found that the first-order mechanism dominates for excitation to the (2s2p) 1 Po excited state, while the second-order processes play a significant role in excitation to the (2s2s) 1 Se, (2p2p) 1 Se, and (2p2p) 1 De excited states at a few MeV/u. It should be noted that the doubly excited (2s2p) 1 Po state plays an important role as an intermediate state in these second-order processes in addition to the singly excited 1s2p 1 Po state. It is also found that the difference for the double-electron-excitation processes by proton impact and by antiproton impact is much smaller than that for the double-ionization processes in this energy range. For the C 6+ -ion impact, higher-order mechanisms play more important roles at a few MeV/u. The excitation mechanism is also discussed based on the classification scheme of the correlation quantum numbers, which enables us to obtain a more direct physical insight into the collision mechanism

  19. Electron-impact vibrational excitation of the hydroxyl radical in the nighttime upper atmosphere

    Science.gov (United States)

    Campbell, Laurence; Brunger, Michael J.

    2018-02-01

    Chemical processes produce vibrationally excited hydroxyl (OH) in a layer centred at an altitude of about 87 km in the Earth's atmosphere. Observations of this layer are used to deduce temperatures in the mesosphere and to observe the passage of atmospheric gravity waves. Due to the low densities and energies at night of electrons at the relevant altitude, it is not expected that electron-impact excitation of OH would be significant. However, there are unexplained characteristics of OH densities and radiative emissions that might be explained by electron impact. These are measurements of higher than expected densities of OH above 90 km and of emissions at higher energies that cannot be explained by the chemical production processes. This study simulates the role of electron impact in these processes, using theoretical cross sections for electron-impact excitation of OH. The simulations show that electron impact, even in a substantial aurora, cannot fully explain these phenomena. However, in the process of this investigation, apparent inconsistencies in the theoretical cross sections and reaction rates were found, indicating that measurements of electron-impact excitation of OH are needed to resolve these problems and scale the theoretical predictions to allow more accurate simulations.

  20. Electrical field excitation in non-uniform plasma by a modulated electron beam

    International Nuclear Information System (INIS)

    Anisimov, I.O.; Borisov, O.A.

    2000-01-01

    Excitation of electric fields due to a modulated electron beam in a warm non-uniform plasma is treated for weak beams in warm plasma. It is shown that the maximum electric field magnitude that is reached near the local plasma resonance point depends significantly on the direction of the electron stream motion. In collisional plasma the magnitude of the Langmuir wave that propagates to the subcritical plasma also depends on the direction of the electron stream motion. The motion of the modulated electron stream front results in beatings between oscillations on the modulation frequency and on the local electron plasma frequencies at the initial moment. Later these beatings damp in the supercritical plasma, whereas in the subcritical plasma they are transformed into spatial beatings between the field of the modulated electron stream and the excited Langmuir wave. (orig.)

  1. Evidence for charge exchange effects in electronic excitations in Al by slow singly charged He ions

    Energy Technology Data Exchange (ETDEWEB)

    Riccardi, P., E-mail: Pierfrancesco.riccardi@fis.unical.it [Dipartimento di Fisica, Università della Calabria and INFN Gruppo collegato di Cosenza, Via P. Bucci cubo 31C, 87036 – Arcavacata di Rende, Cosenza (Italy); Sindona, A. [Dipartimento di Fisica, Università della Calabria and INFN Gruppo collegato di Cosenza, Via P. Bucci cubo 31C, 87036 – Arcavacata di Rende, Cosenza (Italy); Dukes, C.A. [Laboratory for Astrophysics and Surface Physics, Materials Science and Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States)

    2016-09-01

    We report on experiments of secondary electron emission in the interaction of helium ions with aluminum surfaces. Comparison between the electron emission induced by the impact of {sup 3}He{sup +} and {sup 4}He{sup +} on Al illustrates similarities and differences between the two projectiles. The intensity of emission shows the same dependence on velocity for the two isotopes, showing that KEE yields for helium ions impact on Al are dominated by direct excitation of valence electrons and not by electron promotion. Electron promotion and charge transfer processes are unambiguously identified by the observation of Auger electron emission from Al, at energies below the excitation threshold of Al–Al collisions, indicating energy losses for the projectiles higher than those commonly considered.

  2. Production of electronically excited NO via DEA to NO2

    Science.gov (United States)

    Gope, Krishnendu; Tadsare, Vishvesh; Prabhudesai, Vaibhav S.; Krishnakumar, E.

    2017-12-01

    Dissociative electron attachment (DEA) to NO2 in the 7-11 eV range is studied using velocity slice imaging technique. Two distinct channels are observed in the DEA corresponding to O- + NO(A 2Σ+) and O- + NO(C 2Π and/or D 2Σ+). While NO(A 2Σ+) is found to be formed only in very high vibrational levels, NO(C 2Π and/or D 2Σ+) is found to be formed with vibrational distribution starting from v = 0. From the angular distribution of the O- ions leading to the NO(C 2Π and/or D 2Σ+) channel, we obtain the symmetry of the negative ion resonance to be dominantly B1 with small contribution from B2. Contribution to the Topical Issue: "Low Energy Positron and Electron Interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

  3. Parametric excitation of electromagnetic waves by electron Bernstein waves

    International Nuclear Information System (INIS)

    Kuo, S.P.

    1992-01-01

    A parametric instability involving the decay of a standing electron Bernstein pump into electromagnetic sidebands and lower-hybrid decay waves is studied. A general dispersion relation is derived and analyzed. Threshold fields and growth rates are obtained for the two cases that the electron Bernstein pump is introduced near the X-mode cutoff layer or introduced in the region between the upper-hybrid resonance layer and the O-mode cutoff layer. Applications of these results to the recent observation [P. Stubbe and H. Kopka, Phys. Rev. Lett. 65, 183 (1990)] of stimulated electromagnetic emission (SEE) with a broad symmetrical structure (BSS) in the ionospheric modifications by powerful high-frequency (HF) wave are discussed

  4. Electron impact excitation of autoionising states of krypton

    Science.gov (United States)

    Srivastava, S. K.; Trajmar, S.

    1978-01-01

    Energy-loss spectra of krypton in the region between 21 and 29 eV have been obtained at electron impact energies of 30, 60 and 100 eV. For each energy, the angular distribution of intensities has been measured at 5, 10 and 15 deg scattering angles. Assignments of spectral features found in this region are suggested and a comparison is made with previous measurements.

  5. Instabilities excited by head-on collisions of two relativistic electron beams

    Energy Technology Data Exchange (ETDEWEB)

    Kou Shu-Ying

    1982-02-01

    In this paper, we studied the instabilities excited by head-on collision of two relativistic electron beams in transporting, taking account of the magnetic field B/sub 0/ and the thermal pressure delp of the beams. The conditions under which the instabilities occur and the growth rate of instabilities are obtained. The results show that these instabilities can be excited or inhibited by controlling the velocity of the beams.

  6. Matrix photochemistry of small molecules: Influencing reaction dynamics on electronically excited hypersurfaces

    Energy Technology Data Exchange (ETDEWEB)

    Laursen, S.L.

    1990-01-01

    Investigations of chemical reactions on electronically excited reaction surfaces are presented. The role of excited-surface multiplicity is of particular interest, as are chemical reactivity and energy transfer in systems in which photochemistry is initiated through a metal atom sensitizer.'' Two approaches are employed: A heavy-atom matrix affords access to forbidden triplet reaction surfaces, eliminating the need for a potentially reactive sensitizer. Later, the role of the metal atom in the photosensitization process is examined directly.

  7. Matrix photochemistry of small molecules: Influencing reaction dynamics on electronically excited hypersurfaces

    International Nuclear Information System (INIS)

    Laursen, S.L.

    1990-01-01

    Investigations of chemical reactions on electronically excited reaction surfaces are presented. The role of excited-surface multiplicity is of particular interest, as are chemical reactivity and energy transfer in systems in which photochemistry is initiated through a metal atom ''sensitizer.'' Two approaches are employed: A heavy-atom matrix affords access to forbidden triplet reaction surfaces, eliminating the need for a potentially reactive sensitizer. Later, the role of the metal atom in the photosensitization process is examined directly

  8. Workshop report of problems relating to multi-electron excited ions in plasma

    International Nuclear Information System (INIS)

    Fujimoto, Takashi; Suzuki, Hiroshi; Takayanagi, Toshinobu; Koike, Fumihiro; Nakamura, Koji.

    1979-08-01

    A workshop was held to discuss the problems relating to multiple electron-excited ions in plasma. The first part of this report deals with the problems of satellite lines. The satellite lines from laser plasma and vacuum sparks are discussed. Review papers on satellite lines and bielectronic recombination are also presented. The second part of this report deals with the problems of autoionization. Theory, comment on the compound state, observation of autoionization and resonance scattering, excitation cross-section, inner shell ionization, excitation through autoionization, and the bielectronic recombination of helium-like ions are discussed. (Kato, T.)

  9. On the acceleration of charged particles by strong longitudinal plasma wake fields excited by electron bunches

    International Nuclear Information System (INIS)

    Amatuni, A.Ts.; Elbakyan, S.S.; Sekhpossyan, E.V.

    1985-01-01

    The possibility of the use of longitudinal field excited in a plasma by electron bunches to accelerate charged particles is investigated. It is shown that the highets value of accelerating fields proportional to the square root of factor of electrons in the bunch is achieved in the case when bunch particle density approaches a limit equal to the half of the the plasma electron equilibrium density

  10. Excitation of lower hybrid waves by electron beams in finite geometry plasmas

    International Nuclear Information System (INIS)

    Shoucri, M.m.; Gagne, R.R.J.

    1978-01-01

    The quasi-static lower hybrid eigenmodes of a plasma column in a cylindrical waveguide are determined, and their linear excitation by a small density electron beam is discussed for the cases of a hot electron beam as well as for a cold electron beam. It is shown that under certain conditions, finite geometry effects introduce important quantitative and qualitative differences with respect to the results obtained in an infinite geometry. (author)

  11. Excitation of electrostatic ion cyclotron wave in electron beam plasma system

    International Nuclear Information System (INIS)

    Fukumura, Takashi; Takamoto, Teruo

    1984-01-01

    The electrostatic ion cyclotron waves excited in an electron beam plasma system was investigated. The excitation condition of the waves was calculated by using Harris type dispersion relation under some assumption, and its comparison with the experimental result was made. Beam plasma discharge is a kind of RF discharge, and it is caused by the waves generated by the interaction of electron beam with plasma. It was shown that electrostatic ion cyclotron waves seemed to be the most probable as excited waves. But the excitation mechanism of these waves has not been concretely investigated. In this study, the excitation condition of electrostatic ion cyclotron waves was calculated as described above. The experimental apparatus and the results of potential, electric field and ion saturation current in beam plasma, electron drift motion in azimuthal direction and the waves excited in beam plasma are reported. The frequency of oscillation observed in beam plasma corresponds to the harmonics or subharmonics of ion cyclotron frequency. The calculation of Harris type dispersion relation, the numerical calculation and the comparison of the experimental result with the calculated result are described. (Kako, I.)

  12. Muon spin relaxation by electronic excitations moving in one dimension

    International Nuclear Information System (INIS)

    Jestaedt, Th.; Sivia, D.S.; Cox, S.F.J.

    1997-01-01

    The manner in which an electronic spin, executing a linear random walk, e.g. along a polymer chain, depolarizes a muon (or proton) probe spin, is investigated by computer simulation. The essential features of the model are the assumptions of a contact hyperfine interaction with limited range and of loss of coherence between successive encounters. The low dimensionality of the motion is reflected in the shape of the relaxation functions generated, which depart significantly from simple exponentials. Fits to various functional forms are examined for different combinations of hop rate and chain length, hyperfine constant and applied magnetic field

  13. Two-electron excitation to Rydberg levels in fast I6+ on hydrogen collisions

    International Nuclear Information System (INIS)

    Liao, C.; Hagmann, S.; Zouros, T.J.M.; Montenegro, E.C.; Toth, G.; Richard, P.; Grabbe, S.; Bhalla, C.P.

    1995-01-01

    The emission of electrons in the forward direction in collisions of 0.3 MeV/u I 6+ with H 2 has been studied, and strong autoionization peaks are observed on the shoulder of the cusp peak. The energies of these autoionization lines in the projectile rest frame are determined by high-resolution electron spectroscopy. Using the electron projectile final charge state coincidence technique, we probe different collision mechanisms, which create continuum electrons that are slow in the projectile rest frame. We conclude that the observed autoionization lines are due to two electron excitation to projectile Rydberg levels. (orig.)

  14. Structure peculiarities of mixed alkali silicate glasses

    International Nuclear Information System (INIS)

    Bershtein, V.A.; Gorbachev, V.V.; Egorov, V.

    1980-01-01

    The thermal porperties and structure of alkali and mixed alkali (Li, Na, K) silicate glasses by means of differential scanning calorimetry (DSC), the positron annihilation method, X-ray fluorescence and infrared (300-30 cm -1 ) spectroscopy were studied. Introduction of different alkali cations in glass results in nonadditive change in their electron structure (bond covalence degree growth) and the thermal behaviour. The different manifestations of mixed alkali effect can be explained by the lessening of long distance Coulomb interactions and strengthening the short-range forces in the mixed alkali glasses. (orig.)

  15. Excitation of surface and volume plasmons in a metal nanosphere by fast electrons

    Energy Technology Data Exchange (ETDEWEB)

    Gildenburg, V. B., E-mail: gil@appl.sci-nnov.ru; Kostin, V. A.; Pavlichenko, I. A. [University of Nizhny Novgorod, Nizhny Novgorod 603950 (Russian Federation); Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod 603950 (Russian Federation)

    2016-03-15

    Collective multipole oscillations (surface and volume plasmons) excited in a metal nanosphere by moving electron and corresponding inelastic scattering spectra are studied based on the hydrodynamic approach. Along with the bulk (dielectric) losses traditionally taken into account, the surface and radiative ones are also considered as the physical mechanisms responsible for the plasmon damping. The second and third mechanisms are found to be essential for the surface plasmons (at small or large cluster radii, respectively) and depend very differently on the multipole mode order. The differential equations are obtained which describe the temporal evolution of every particular mode as that one of a linear oscillator excited by the given external force, and the electron energy loss spectra are calculated. The changes in spectrum shape with the impact parameter and with the electron passage time are analyzed; the first of them is found to be in good enough agreement with the data of scanning transmission electron microscopy experiments. It is shown that, in the general case, a pronounced contribution to the formation of the loss spectrum is given by the both surface and volume plasmons with low and high multipole indices. In particular, at long electron passage time, the integral (averaged over the impact parameter) loss spectrum which is calculated for the free-electron cluster model contains two main peaks: a broad peak from merging of many high-order multipole resonances of the surface plasmons and a narrower peak of nearly the same height from merged volume plasmons excited by the electrons that travel through the central region of the cluster. Comparatively complex dependences of the calculated excitation coefficients and damping constants of various plasmons on the order of the excited multipole result in wide diversity of possible types of the loss spectrum even for the same cluster material and should be taken into account in interpretation of corresponding

  16. Cross-sections for dissociative excitation of lead atom in collisions of slow electrons with PbI2 molecules

    International Nuclear Information System (INIS)

    Smirnov, Yu.M.

    2006-01-01

    The dissociative excitation of the lead atom in e-PbI 2 collisions has been studied experimentally. 27 excitation cross-sections are measured at an exciting-electron energy of 100 eV. Nine optical excitation functions are recorded at the electron energy varying in the 0-100 eV range. The most possible reaction channels at low electron energies along with the relation of the dissociative-excitation cross-sections of the lead atom both in e-PbI 2 and e-PbCl 2 collisions are discussed. (authors)

  17. Multiple scattering approach to the vibrational excitation of molecules by slow electrons

    International Nuclear Information System (INIS)

    Drukarev, G.

    1976-01-01

    Another approach to the problem of vibrational excitation of homonuclear two-atomic molecules by slow electrons possibly accompanied by rotational transitions is presented based on the picture of multiple scattering of an electron inside the molecule. The scattering of two fixed centers in the zero range potential model is considered. The results indicate that the multiple scattering determines the order of magnitude of the vibrational excitation cross sections in the energy region under consideration even if the zero range potential model is used. Also the connection between the multiple scattering approach and quasi-stationary molecular ion picture is established. 9 refs

  18. Studies of isotopic effects in the excited electronic states of molecular systems

    International Nuclear Information System (INIS)

    1982-01-01

    Rare gas halogen (RGH) lasers serve as convenient tools for a range of photophysical processes which exhibit isotope effects. This document summarizes progress in the production of molecular systems in their electronic excited states with the aid of RGH lasers, and the various isotopic effects one can study under these conditions. We conclude that the basic physical mechanisms involved in the isotopically sensitive characteristics of excited molecular electronic states are sufficiently selective to be useful in both the detection and separation of many atomic materials

  19. Optical excitation cross-sections for electron collisions with atoms and molecules

    International Nuclear Information System (INIS)

    McConkey, J.W.; Univ. of Windsor, Ontario)

    1983-01-01

    A brief review of the status of absolute electron-impact excitation cross-section measurements for atoms and molecules is presented. Some of the reasons for the wide discrepancies which exist in the published data are discussed. Tables are presented of recent publications in the field which are not included in the J.I.L.A. compilations. A tabular compilation of the existing data for e-impact on H 2 O is also given and discussed. Some recent experiments of particular interest to the development of the theory of electron-molecule excitation are mentioned. 112 references, 3 figures, 3 tables

  20. Electron beam excitation assisted optical microscope with ultra-high resolution.

    Science.gov (United States)

    Inami, Wataru; Nakajima, Kentaro; Miyakawa, Atsuo; Kawata, Yoshimasa

    2010-06-07

    We propose electron beam excitation assisted optical microscope, and demonstrated its resolution higher than 50 nm. In the microscope, a light source in a few nanometers size is excited by focused electron beam in a luminescent film. The microscope makes it possible to observe dynamic behavior of living biological specimens in various surroundings, such as air or liquids. Scan speed of the nanometric light source is faster than that in conventional near-field scanning optical microscopes. The microscope enables to observe optical constants such as absorption, refractive index, polarization, and their dynamic behavior on a nanometric scale. The microscope opens new microscopy applications in nano-technology and nano-science.

  1. Electron-impact excitation out of the metastable levels of Krypton

    International Nuclear Information System (INIS)

    Jung, R.O.; Stone, Tom E.; Boffard, John B.; Anderson, L.W.; Lin, Chun C.

    2005-01-01

    We have measured the electron-impact excitation cross sections out of the two metastable levels of Kr into the ten levels of the 4p 5 5p configuration. For a common 4p 5 5p final level, the peak excitation cross sections out of the two individual 4p 5 5s metastable levels are found to differ by 1 to 2 orders of magnitude. This is explained by the special features of the electronic structure of the two configurations involved. The peak cross sections are 10 to 1600 times larger than the corresponding peak cross sections out of the ground state

  2. Wakefield excitation in plasma resonator by a sequence of relativistic electron bunches

    International Nuclear Information System (INIS)

    Kiselev, V.A.; Linnik, A.F.; Mirny, V.I.; Onishchenko, I.N.; Uskov, V.V.

    2008-01-01

    Wakefield excitation in a plasma resonator by a sequence of relativistic electron bunches with the purpose to increase excited field amplitude in comparison to waveguide case is experimentally investigated. A sequence of short electron bunches is produced by the linear resonant accelerator. Plasma resonator is formed at the beam-plasma discharge in rectangular metal waveguide filled with gas and closed by metal foil at entrance and movable short-circuited plunger at exit. Measurements of wakefield amplitude are performed showing considerably higher wakefield amplitude for resonator case

  3. The formation of electronically excited fragments by the electron impact of furan and related five-membered heterocycles

    International Nuclear Information System (INIS)

    Tokue, Ikuo; Ikarashi, Masami; Takizawa, Sadachika; Ito, Yoshio

    1983-01-01

    In the wavelength region of 200-600 nm, photoemissions from electronically excited H, CH, C 2 , and CS (only from thiophene and tetrahydrothiophene) were observed when furan, tetrahydrofuran, thiophene, and tetrahydrothiophene were excited by electron impact (0-70 eV). Hydrogen atoms (n = 4) and CH(A 2 Δ) radicals were produced from these five-membered heterocycles via single collision excitations, while CS(A 1 PI) radicals from thiophene and tetrahydrothiophene were partly formed in secondary processes. The appearance potentials for the hydrogen Balmer β and the CH(A 2 Δ-X 2 PI) bands from these five-membered heterocycles are determined, and the dissociation processes forming H(n = 4) and CH(A) are discussed. (author)

  4. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  5. Investigation of transversal nuclear excitation in 208Pb at excitation energies between 6 MeV and 8 MeV using inelastic electron scattering

    International Nuclear Information System (INIS)

    Frey, R.W.

    1978-01-01

    Using high resolution inelastic electron scattering magnitic dipole and quadrupole excitations in 208 Pb were investigated in the energy range between 6 MeV and 8 MeV. The electron energy was 50 MeV and 63.5 MeV. With a mean absolute energy resolution of 33 kev. 44 excited states were found in the above energy range. The measured angular distributions were compared with DWBA-calculations using random phase approximated wave functions. (FKS)

  6. Correlated electron capture and inner-shell excitation measurements in ion-atom collisions

    International Nuclear Information System (INIS)

    Tanis, J.A.; Bernstein, E.M.; Clark, M.W.

    1985-01-01

    In an ion-atom collision projectile excitation and charge transfer (electron capture) may occur together in a single encounter. If the excitation and capture are correlated, then the process is called resonant transfer and excitation (RTE); if they are uncorrelated, then the process is termed nonresonant transfer and excitation (NTE). Experimental work to date has shown the existence of RTE and provided strong evidence for NTE. Results presented here provide information on the relative magnitudes of RTE and NTE, the charge state dependence of RTE, the effect of the target momentum distribution on RTE, the magnitude of L-shell RTE compared to K-shell RTE, and the target Z dependences of RTE and NTE. 15 refs., 5 figs

  7. Plasma excitation processes in flue gas simulated with Monte Carlo electron dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Tas, M.A.; Veldhuizen, E.M. van; Rutgers, W.R. [Eindhoven University of Technology (Netherlands). Div. of Electrical Energy Systems

    1997-06-07

    The excitation of gas molecules in flue gas by electron impact is calculated with a Monte Carlo (MC) algorithm for electron dynamics in partially ionized gases. The MC algorithm is straightforward for any mixture of molecules for which cross sections are available. Electron drift is simulated in the first case for homogeneous electric fields and in the second case for secondary electrons which are produced by electron-beam irradiation. The electron energy distribution function {epsilon}-bar{sub {theta}}, V-bar{sub d}, {lambda}-bar, the energy branching and the rate of excitation are calculated for standard gas mixtures of Ar-N{sub 2}, O{sub 2} and H{sub 2}O. These fundamental process parameters are needed for the study of reactions to remove NO{sub x} from flue gas. The calculated results indicate that the production of highly excited molecules in the high electric field of a streamer corona discharge has an efficiency similar to that of electron-beam irradiation. (author)

  8. Possible interaction between thermal electrons and vibrationally excited N2 in the lower E-region

    Directory of Open Access Journals (Sweden)

    K.-I. Oyama

    2011-03-01

    Full Text Available As one of the tasks to find the energy source(s of thermal electrons, which elevate(s electron temperature higher than neutral temperature in the lower ionosphere E-region, energy distribution function of thermal electron was measured with a sounding rocket at the heights of 93–131 km by the applying second harmonic method. The energy distribution function showed a clear hump at the energy of ~0.4 eV. In order to find the reason of the hump, we conducted laboratory experiment. We studied difference of the energy distribution functions of electrons in thermal energy range, which were measured with and without EUV radiation to plasma of N2/Ar and N2/O2 gas mixture respectively. For N2/Ar gas mixture plasma, the hump is not clearly identified in the energy distribution of thermal electrons. On the other hand for N2/O2 gas mixture, which contains vibrationally excited N2, a clear hump is found when irradiated by EUV. The laboratory experiment seems to suggest that the hump is produced as a result of interaction between vibrationally excited N2 and thermal electrons, and this interaction is the most probable heating source for the electrons of thermal energy range in the lower E-region. It is also suggested that energy distribution of the electrons in high energy part may not be Maxwellian, and DC probe measures the electrons which are non Maxwellian, and therefore "electron temperature" is calculated higher.

  9. Intermediate energy electron impact excitation of composite vibrational modes in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

  10. Theoretical studies of atomic and quasiatomic excitations by electron and ion impact

    International Nuclear Information System (INIS)

    Kam, K.F.

    1999-09-01

    Electron emission from ion induced excitations of Ca, Sc, Ti and V metal surfaces and from electron impact on transition metal oxides CoO and TiO 2 has been studied in this thesis. Both the autoionising emission from sputtered atoms and the 3p→3d and 3s→3d excitations in the oxides reveal strong atomic features. The work has involved explaining these spectra in an atomic approach, via the use of atomic structure calculations, cross section studies and empirical/semi-empirical analyses. The other aspect of this work involves extension of current theories of electron-atom scattering in the high electron energy impact regime. Overall it is shown that much can be learned about some solid-state spectra by relating them to atomic phenomena. (author)

  11. Electron-impact excitation of diatomic hydride cations II: OH+ and SH+

    Science.gov (United States)

    Hamilton, James R.; Faure, Alexandre; Tennyson, Jonathan

    2018-05-01

    R-matrix calculations combined with the adiabatic-nuclei-rotation and Coulomb-Born approximations are used to compute electron-impact rotational rate coefficients for two open-shell diatomic cations of astrophysical interest: the hydoxyl and sulphanyl ions, OH+ and SH+. Hyperfine resolved rate coefficients are deduced using the infinite-order-sudden approximation. The propensity rule ΔF = Δj = ΔN = ±1 is observed, as is expected for cations with a large dipole moment. A model for OH+ excitation in the Orion Bar photon-dominated region is presented which nicely reproduces Herschel observations for an electron fraction xe = 10-4 and an OH+ column density of 3 × 1013 cm-2. Electron-impact electronic excitation cross-sections and rate coefficients for the ions are also presented.

  12. Isomer depletion as experimental evidence of nuclear excitation by electron capture

    Science.gov (United States)

    Chiara, C. J.; Carroll, J. J.; Carpenter, M. P.; Greene, J. P.; Hartley, D. J.; Janssens, R. V. F.; Lane, G. J.; Marsh, J. C.; Matters, D. A.; Polasik, M.; Rzadkiewicz, J.; Seweryniak, D.; Zhu, S.; Bottoni, S.; Hayes, A. B.; Karamian, S. A.

    2018-02-01

    The atomic nucleus and its electrons are often thought of as independent systems that are held together in the atom by their mutual attraction. Their interaction, however, leads to other important effects, such as providing an additional decay mode for excited nuclear states, whereby the nucleus releases energy by ejecting an atomic electron instead of by emitting a γ-ray. This ‘internal conversion’ has been known for about a hundred years and can be used to study nuclei and their interaction with their electrons. In the inverse process—nuclear excitation by electron capture (NEEC)—a free electron is captured into an atomic vacancy and can excite the nucleus to a higher-energy state, provided that the kinetic energy of the free electron plus the magnitude of its binding energy once captured matches the nuclear energy difference between the two states. NEEC was predicted in 1976 and has not hitherto been observed. Here we report evidence of NEEC in molybdenum-93 and determine the probability and cross-section for the process in a beam-based experimental scenario. Our results provide a standard for the assessment of theoretical models relevant to NEEC, which predict cross-sections that span many orders of magnitude. The greatest practical effect of the NEEC process may be on the survival of nuclei in stellar environments, in which it could excite isomers (that is, long-lived nuclear states) to shorter-lived states. Such excitations may reduce the abundance of the isotope after its production. This is an example of ‘isomer depletion’, which has been investigated previously through other reactions, but is used here to obtain evidence for NEEC.

  13. Relaxation and excitation electronic processes in dielectrics irradiated by ultrafast IR and VUV pulses

    International Nuclear Information System (INIS)

    Gaudin, J.

    2005-11-01

    We studied excitation and relaxation of electrons involved during interaction of visible and VUV femtosecond pulses with dielectrics. The generated population of hot electrons, having energy of few eV to few tens of eV above the bottom of the conduction band, is responsible of phenomena ranging to defect creation to optical breakdown. Owing to two techniques: photoemission and transient photoconductivity we improve the understanding of the The first photoemission experiments deal with dielectrics irradiated by 30 fs IR pulses. The photoemission spectra measured show a large population of electrons which energy rise up to 40 eV. We interpret this result in terms of a new absorption process: direct multi-photons inter-branch transitions. The 2. type of photoemission experiments are time resolved 'pump/probe' investigation. We study the relaxation of electrons excited by a VUV pulses. We used the high order harmonics (HOH) as light sources. We found surprisingly long decay time in the range of ps timescale. Last type of experiments is photoconductivity studies of diamond samples. Using HOH as light source we measure the displacement current induced by excited electrons in the conduction band. Those electrons relax mainly by impact ionisation creating secondary electrons. Hence by probing the number of electrons we were able to measure the efficiency of these relaxation processes. We observe a diminution of this efficiency when the energy of exciting photons is above 20 eV. Owing to Monte-Carlo simulation we interpret this result in terms of band structure effect. (author)

  14. Electron-impact coherence parameters for 41 P 1 excitation of zinc

    Science.gov (United States)

    Piwiński, Mariusz; Kłosowski, Łukasz; Chwirot, Stanisław; Fursa, Dmitry V.; Bray, Igor; Das, Tapasi; Srivastava, Rajesh

    2018-04-01

    We present electron-impact coherence parameters (EICP) for electron-impact excitation of 41 P 1 state of zinc atoms for collision energies 40 eV and 60 eV. The experimental results are presented together with convergent close-coupling and relativistic distorted-wave approximation theoretical predictions. The results are compared and discussed with EICP data for collision energies 80 eV and 100 eV.

  15. Analytical formulas for dipole excitation cross sections of ions colliding with electrons

    International Nuclear Information System (INIS)

    Shevelko, V.P.

    1992-01-01

    Analytical formulas describing electron-impact induced dipole excitation of ions from threshold (E = ΔE) to high energies (E >> ΔE) are suggested. The formulas are based on the model dipole potential and are expressed in terms of McDonald functions. The results are compared with numerical calculations, other semiempirical formulas and experimental data

  16. Electron impact excitation collision strengths for neon-like Ni XIX ...

    Indian Academy of Sciences (India)

    Abstract. In a recent paper [Pramana – J. Phys. 64, 129 (2005)] results have been presented for electron impact excitation collision strengths for transitions among the fine- structure levels of the 2s22p6 and 2s22p53s configurations of Ni XIX. In this paper we demonstrate through an independent calculation with the ...

  17. Electron impact excitation of 1'S-2'S transition in helium

    International Nuclear Information System (INIS)

    Mohanty, J.P.; Singh, C.S.

    1989-01-01

    The modified variable-charge Coulomb-projected Born approximation is applied to electron impact excitation of 1 1 S-2 1 S transition in helium. The results are compared with other theoretical and experimental results. (author). 30 refs., 4 figs

  18. Reduction of the Glauber amplitude for electron impact rotational excitation of quadrupolar molecular ions

    International Nuclear Information System (INIS)

    Mathur, K.C.; Gupta, G.P.; Pundir, R.S.

    1981-06-01

    A reduction of the Glauber amplitude for the rotational excitation of pure quadrupolar molecular ions by electron impact is presented in a form suitable for numerical evaluation. The differential cross-section is expressed in terms of one dimensional integrals over impact parameter. (author)

  19. Electron impact excitation of fine-structure levels of neon-like titanium (Ti XIII)

    International Nuclear Information System (INIS)

    Gupta, G.P.; Deb, N.C.; Msezane, A.Z.

    1999-01-01

    The authors present results of a Breit-Pauli R-matrix calculation for the electron impact excitation of neon-like titanium, in which the 27 lowest fine-structure target levels arising out of the 4 lowest configurations 2s 2 2p 6 , 2s 2 2p 5 3s, 2s 2 2p 5 3p, and 2s 2 2p 5 3d are included. These target levels are represented by configuration interaction wave functions using the 1s, 2s, 2p, 3s, 3p, and 3d basic orbitals. The relativistic effects are included in the Breit-Pauli approximation via one-body mass correction, Darwin, and spin-orbit interaction terms in the scattering equations. For many transitions, complex resonance structures are found in the excitation cross sections. The excitation cross sections are integrated over a Maxwellian distribution of electron energies to give electron excitation rate coefficients over a wide temperature range from 150 to 600 eV. The relative populations for different electron densities and temperatures are also presented

  20. Inner shell excitation in atoms and molecules by high resolution electron impact

    International Nuclear Information System (INIS)

    King, G.C.

    1986-01-01

    In this work an inner-shell spin-forbidden transition in N 2 and a parity-forbidden transition in Ar were studied. These transitions were observed by using incident electron energies as low as 1.15 times the excitation energy of the inner-shell states. (Auth.)

  1. Enhanced Electron Attachment to Highly-Excited Molecules and Its Applications in Pulsed Plasmas

    International Nuclear Information System (INIS)

    Ding, W.X.; Ma, C.Y.; McCorkle, D.L.; Pinnaduwage, L.A.

    1999-01-01

    Studies conducted over the past several years have shown that electron attachment to highly-excited states of molecules have extremely large cross sections. We will discuss the implications of this for pulsed discharges used for H - generation, material processing, and plasma remediation

  2. Implications of electron attachment to highly-excited states in pulsed-power discharges

    International Nuclear Information System (INIS)

    Pinnaduwage, L.A.; Univ. of Tennessee, Knoxville, TN

    1997-01-01

    The author points out the possible implications of electron attachment to highly-excited states of molecules in two pulsed power technologies. One involves the pulsed H 2 discharges used for the generation of H ion beams for magnetic fusion energy and particle accelerators. The other is the power modulated plasma discharges used for material processing

  3. Electron impact excitation collision strengths for neon-like Ni XIX ...

    Indian Academy of Sciences (India)

    In a recent paper [Pramana - J. Phys. 64, 129 (2005)] results have been presented for electron impact excitation collision strengths for transitions among the fine-structure levels of the 2s22p6 and 2s22p53s configurations of Ni XIX. In this paper we demonstrate through an independent calculation with the relativistic -matrix ...

  4. Bibliography on electron collisions with molecules: rotational and vibrational excitations, 1980-2000

    International Nuclear Information System (INIS)

    Itikawa, Yukikazu

    2001-04-01

    A list of papers reporting cross sections for electron-impact excitations of rotational and vibrational states of molecules is presented. The list includes both the theoretical and the experimental papers published in 1980-2000. An index by molecular species is provided at the end of the bibliography. (author)

  5. Excitation of lower hybrid waves by electron beams in finite geometry plasmas

    International Nuclear Information System (INIS)

    Gagne, R.R.J.; Shoucri, M.M.

    1978-01-01

    The dispersion relations for the quasi-static lower hybrid surface waves are derived. Conditions for their existence and their linear excitation by a small density electron beam are discussed. Instabilities appearing in low-frequency surface waves are also discussed. (author)

  6. Dynamic correlation of photo-excited electrons: Anomalous levels induced by light–matter coupling

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xiankai [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Song, Bo, E-mail: bosong@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)

    2014-04-01

    Nonlinear light–matter coupling plays an important role in many aspects of modern physics, such as spectroscopy, photo-induced phase transition, light-based devices, light-harvesting systems, light-directed reactions and bio-detection. However, excited states of electrons are still unclear for nano-structures and molecules in a light field. Our studies unexpectedly present that light can induce anomalous levels in the electronic structure of a donor–acceptor nanostructure with the help of the photo-excited electrons transferring dynamically between the donor and the acceptor. Furthermore, the physics underlying is revealed to be the photo-induced dynamical spin–flip correlation among electrons. These anomalous levels can significantly enhance the electron current through the nanostructure. These findings are expected to contribute greatly to the understanding of the photo-excited electrons with dynamic correlations, which provides a push to the development and application of techniques based on photosensitive molecules and nanostructures, such as light-triggered molecular devices, spectroscopic analysis, bio-molecule detection, and systems for solar energy conversion.

  7. Suppression of beam-excited electron waves by an externally applied RF signal

    International Nuclear Information System (INIS)

    Fukumasa, Osamu; Itatani, Ryohei

    1980-11-01

    Suppression of the beam-excited electron wave in a bounded system is investigated in connection with the beam distribution function. Wave suppression has two different processes depending on whether injected beams are reflected at the other end or not. In the absence of reflected beam electrons, deformation of the beam distribution function is observed in relation to the suppression of the electron wave. However, when beam electrons are reflected, the external wave suppresses the electron wave but distribution function shows no appreciable change. These experimental results show that nonlinear behaviors of beam electrons, namely behaviors of reflected beams, are quite important for wave suppression. By using the method of partial simulation, interaction between two waves in the bounded system including nonlinear motions of beam electrons is studied numerically. Qualitative agreement between experimental and numerical results is obtained. (author)

  8. Laser excitation of 8-eV electronic states in Th{sup +}. A first pillar of the electronic bridge toward excitation of the Th-229 nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Herrera-Sancho, Oscar-Andrey

    2012-11-23

    The possibility to realize a nuclear clock based on the optical magnetic dipole transition from the ground state to the low-energy isomeric state in the {sup 229}Th nucleus has motivated experiments and proposals toward highly accurate clocks with trapped ions and highly stable optical frequency standards with Th-doped solids. These systems hold great promise to open a field of research in the borderland between atomic and nuclear physics, which will enable highly sensitive tests of postulates from fundamental physics and also will allow us to coherently excite and control nuclear states, opening a wonderful and intriguing new field in physics. A major experimental obstacle that has to be overcome before any precision spectroscopy can be performed with this system is however the insufficient knowledge on the exact transition energy. The best experimental result so far is an indirect determination from {gamma}-spectroscopy with a relative uncertainty of about 6%. To facilitate the search for the nuclear transition within a wide uncertainty range around 8 eV, we investigate two-photon excitation in the dense electronic level structure of Th{sup +}, which enables the nuclear excitation via a resonantly enhanced inverse electronic bridge process. Experiments on one- and two-photon laser excitation of buffer gas cooled {sup 232}Th{sup +} ions in a radio-frequency ion trap are reported in this thesis. The strongest resonance line at 402 nm from the (6d{sup 2}7s)J=3/2 ground state to the (6d7s7p)J=5/2 state is driven as the first excitation step. Using nanosecond laser pulses in the 250-nm wavelength range for the second step of a two-photon excitation, we have observed seven previously unknown levels in the unexplored region of the electronic level structure around 8 eV. This investigation shows that the Th{sup +} ion seems to be well suited for the search of the isomer transition because both, theory and experimental results, agree on the density of strong transitions

  9. Excitation-energy-dependent resonances in x-ray emissions under near-threshold electron excitation of the Ce 3d and 4d levels

    International Nuclear Information System (INIS)

    Chamberlain, M.B.; Baun, W.L.

    1975-01-01

    Soft x-ray appearance potential spectra of the 3d and 4d levels of polycrystalline cerium metal are reported in this paper. Resonant x-ray emissions are observed when the electron-excitation energy sweeps through the ionization energies of the 3d and 4d levels. The resonant x rays excited at the 3d-level onsets are considerably more intense, and are excited at a lower electron-excitation energy than the 3d-series characteristic x rays. In the neighborhood of the 4d-electron thresholds, four line-like structures extend to approx.8 eV below the 4d-electron binding energies, while two broad and more intense structures occur above the 4d onsets, with the largest one reaching a peak intensity at 12 eV above the 4d thresholds. The resonant emissions apparently arise from the decay of threshold-excited states which are bound to the inner vacancy and have core configurations nd 9 4f 3 , (n=3,4). The exchange interaction between the three 4f electrons and the respective d-orbital vacancy spreads the 4d-threshold structures over a 20 eV range of excitation energies and the 3d-threshold structures over a much smaller range

  10. Influence of excited molecules on electron swarm transport coefficients and gas discharge kinetics

    International Nuclear Information System (INIS)

    Petrovic, Z.L.; Jovanovic, J.V.; Raspopovic, Z.M.; Bzenic, S.A.; Vrhovac, S.B.

    1997-01-01

    In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm experiments with excited molecules are lacking and that there is a shortage of reliable data, while the numerical procedures are sufficiently developed to include all the important effects. (authors). 59 refs., 12 figs

  11. Influence of the excited states on the electron-energy distribution function in low-pressure microwave argon plasmas

    International Nuclear Information System (INIS)

    Yanguas-Gil, A.; Cotrino, J.; Gonzalez-Elipe, A.R.

    2005-01-01

    In this work the influence of the excited states on the electron-energy distribution function has been determined for an argon microwave discharge at low pressure. A collisional-radiative model of argon has been developed taking into account the most recent experimental and theoretical values of argon-electron-impact excitation cross sections. The model has been solved along with the electron Boltzmann equation in order to study the influence of the inelastic collisions from the argon excited states on the electron-energy distribution function. Results show that under certain conditions the excited states can play an important role in determining the shape of the distribution function and the mean kinetic energy of the electrons, deplecting the high-energy tail due to inelastic processes from the excited states, especially from the 4s excited configuration. It has been found that from the populations of the excited states an excitation temperature can be defined. This excitation temperature, which can be experimentally determined by optical emission spectroscopy, is lower than the electron kinetic temperature obtained from the electron-energy distribution function

  12. Harvesting multiple electron-hole pairs generated through plasmonic excitation of Au nanoparticles.

    Science.gov (United States)

    Kim, Youngsoo; Smith, Jeremy G; Jain, Prashant K

    2018-05-07

    Multi-electron redox reactions, although central to artificial photosynthesis, are kinetically sluggish. Amidst the search for synthetic catalysts for such processes, plasmonic nanoparticles have been found to catalyse multi-electron reduction of CO 2 under visible light. This example motivates the need for a general, insight-driven framework for plasmonic catalysis of such multi-electron chemistry. Here, we elucidate the principles underlying the extraction of multiple redox equivalents from a plasmonic photocatalyst. We measure the kinetics of electron harvesting from a gold nanoparticle photocatalyst as a function of photon flux. Our measurements, supported by theoretical modelling, reveal a regime where two-electron transfer from the excited gold nanoparticle becomes prevalent. Multiple electron harvesting becomes possible under continuous-wave, visible-light excitation of moderate intensity due to strong interband transitions in gold and electron-hole separation accomplished using a hole scavenger. These insights will help expand the utility of plasmonic photocatalysis beyond CO 2 reduction to other challenging multi-electron, multi-proton transformations such as N 2 fixation.

  13. Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2014-12-09

    Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

  14. Nonequilibrium excitations and transport of Dirac electrons in electric-field-driven graphene

    Science.gov (United States)

    Li, Jiajun; Han, Jong E.

    2018-05-01

    We investigate nonequilibrium excitations and charge transport in charge-neutral graphene driven with dc electric field by using the nonequilibrium Green's-function technique. Due to the vanishing Fermi surface, electrons are subject to nontrivial nonequilibrium excitations such as highly anisotropic momentum distribution of electron-hole pairs, an analog of the Schwinger effect. We show that the electron-hole excitations, initiated by the Landau-Zener tunneling with a superlinear I V relation I ∝E3 /2 , reaches a steady state dominated by the dissipation due to optical phonons, resulting in a marginally sublinear I V with I ∝E , in agreement with recent experiments. The linear I V starts to show the sign of current saturation as the graphene is doped away from the Dirac point, and recovers the semiclassical relation for the saturated velocity. We give a detailed discussion on the nonequilibrium charge creation and the relation between the electron-phonon scattering rate and the electric field in the steady-state limit. We explain how the apparent Ohmic I V is recovered near the Dirac point. We propose a mechanism where the peculiar nonequilibrium electron-hole creation can be utilized in a infrared device.

  15. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Science.gov (United States)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

    2015-12-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

  16. Fine structures of atomic excited states: precision atomic spectroscopy and electron-ion collision process

    International Nuclear Information System (INIS)

    Gao Xiang; Cheng Cheng; Li Jiaming

    2011-01-01

    Scientific research fields for future energies such as inertial confinement fusion researches and astrophysics studies especially with satellite observatories advance into stages of precision physics. The relevant atomic data are not only enormous but also of accuracy according to requirements, especially for both energy levels and the collision data. The fine structure of high excited states of atoms and ions can be measured by precision spectroscopy. Such precision measurements can provide not only knowledge about detailed dynamics of electron-ion interactions but also a bench mark examination of the accuracy of electron-ion collision data, especially incorporating theoretical computations. We illustrate that by using theoretical calculation methods which can treat the bound states and the adjacent continua on equal footing. The precision spectroscopic measurements of excited fine structures can be served as stringent tests of electron-ion collision data. (authors)

  17. Observations of localised dielectric excitations, secondary events and ionisation damage by scanning transmission electron microscopy

    International Nuclear Information System (INIS)

    Howie, A.

    1988-01-01

    In the scanning transmission electron microscope (STEM) a high intensity /approximately/0.5nm diameter, probe of 100 keV electrons is formed. This can be positioned to collect energy loss spectra from surfaces, interfaces, small spheres or other particles at controlled values of impact parameter or can be scanned across the object (usually a thin film) to produce high resolution images formed from a variety of signals - small angle or large angle (Z contrast) elastic scattering, inelastic scattering (both valence and core losses), secondary electron emission and x-ray or optical photon emission. The high spatial resolution achievable in a variety of simple structures raises many unsolved theoretical problems concerning the generation, propagation and decay of excitations in inhomogeneous media. These range from quite well posed problems in the mathematical physics of dielectric excitation to problems of plasmon propagation and rather more exotic and less well understood problems of radiation damage. 15 refs., 4 figs

  18. Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

    Science.gov (United States)

    Xie, Yu; Jiang, Shengshi; Zheng, Jie; Lan, Zhenggang

    2017-12-21

    Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates.

  19. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

    2015-12-14

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

  20. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    International Nuclear Information System (INIS)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.

    2015-01-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule

  1. Defect production and annihilation in metals through electronic excitation by energetic heavy ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Iwase, Akihiro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-03-01

    Defect production, radiation annealing and defect recovery are studied in Ni and Cu irradiated with low-energy ({approx}1-MeV) and high-energy ({approx}100-MeV) ions. Irradiation of Ni with {approx}100-MeV ions causes an anomalous reduction, or even a complete disappearance of the stage-I recovery. This result shows that the energy transferred from excited electrons to lattice atoms through the electron-lattice interaction contributes to the annihilation of the stage-I interstitials. This effect is also observed in Ni as a large radiation annealing during 100-MeV heavy ion irradiation. On the other hand, in Cu thin foils, we find the defect production process strongly associated with electron excitation, where the defect production cross section is nearly proportional to S{sub e}{sup 2}. (author)

  2. Emission spectroscopic studies on dynamics of molecular excitation and dissociation by controlled electron impact

    International Nuclear Information System (INIS)

    Ogawa, Teiichiro

    1986-01-01

    Emission spectrum by controlled electron impact has been a successful technique for the investigation of molecular dynamics. (1) Molecular excitation. Aromatic molecules give an optical emission similar to fluorescence. However, as is shown by the vibrational structure and the electron energy dependence of benzene emission, its excitation process is not necessarily optical. Some aliphatic molecules also exhibit an emission band at the ultraviolet region. (2) Molecular dissociation. Analysis of the Doppler profile, the threshold energy, the excitation function and the isotope effect of the atomic emission produced in electron-molecule collisions has clarified the dynamics of the molecular dissociation. Especially the Doppler profile has given the translational energy distribution of the fragment atom, which is very useful to disclose the potential energy curve. Its angular dependence has recently found to allow determination of the symmetry of the intermediate excited state and the magnetic sublevel distribution of the fragment atom. These finding has revealed detailed state-to-state dynamics of the molecular dissociation. (author)

  3. Excitation of the 5p57p levels of xenon by electron impact

    International Nuclear Information System (INIS)

    Sharma, L.; Sharma, L.; Srivastava, R.; Stauffer, A.D.

    2011-01-01

    We have used our relativistic distorted-wave method to calculate cross sections for the electron-impact excitation of the ground state of xenon to all the 5p 5 7p fine-structure levels. The results are compared with the recent experimental measurements of Jung et al. [Phys. Rev. A 80, 062708 (2009)]. We show that the measured cross sections of Jung et al. for excitation of the levels with angular momentum J odd are dominated by cascading from higher-lying levels. Analytic fits to our cross sections are also provided for use in plasma modeling studies

  4. Antibonding intermediate state in the theory of vibrational excitation of diatomic molecules by slow electrons

    International Nuclear Information System (INIS)

    Kazanskii, A.K.

    1982-01-01

    An exactly solvable model is constructed for the description of the processes that take place when a slow electron collides with a diatomic molecule (vibrational excitation, associative detachment, and dissociative attachment). As a particular model of the variant, the case of an antibonding (virtual) state of an intermediate state is considered, and a term of this state is parametrized in a very simple manner. The vibrational excitation and dissociative attachment are calculated for a system corresponding to the HCl molecule. The results are in good qualitative agreement with experiment

  5. A search for excited fermions in electron-proton collisions at HERA

    International Nuclear Information System (INIS)

    Derrick, M.; Krakauer, D.; Magill, S.

    1994-10-01

    A search for excited states of the standard model fermions was performed using the ZEUS detector at the HERA electron-proton collider, operating at a centre of mass enery of 296 GeV. In a sample corresponding to an integrated luminosity of 0.55 pb -1 , no evidence was found for any resonant state decaying into final states composed of a fermion and a gauge boson. Limits on the coupling strength times branching ratio of excited fermions are presented for masses between 50 GeV and 250 GeV, extending previous search regions significantly. (orig.)

  6. Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

    International Nuclear Information System (INIS)

    Godunov, I.A.; Bataev, V.A.; Maslov, D.V.; Yakovlev, N.N.

    2017-01-01

    The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.

  7. Spatial distribution of fluorescent light emitted from neon and nitrogen excited by low energy electron beams

    International Nuclear Information System (INIS)

    Morozov, A.; Kruecken, R.; Ulrich, A.; Wieser, J.

    2006-01-01

    Side-view intensity profiles of fluorescent light were measured for neon and nitrogen excited with 12 keV electron beams at gas pressures from 250 to 1400 hPa. The intensity profiles were compared with theoretical profiles calculated using the CASINO program which performs Monte Carlo simulations of electron scattering. It was assumed that the spatial distribution of fluorescent intensity is directly proportional to the spatial distribution of energy loss by primary electrons. The comparison shows good correlation of experimental data and the results of numeric simulations

  8. Ultraviolet optical absorption of alkali cyanides and alkali halide cyanides

    International Nuclear Information System (INIS)

    Souza Camargo Junior, S.A. de.

    1982-09-01

    The ultraviolet absorption spectra of alkali cyanide and mixed alkali halide cyanide crystals were measured at temperatures ranging from 300K down to 4.2K. A set of small absorption peaks was observed at energies near 6 eV and assigned to parity forbidden X 1 Σ + →a' 3 Σ + transitions of the CN - molecular ions. It was observed that the peak position depends on the alkali atom while the absorption cross section strongly depends on the halogen and on the CN - concentration of the mixed crystals. These effects are explained in terms of an interaction between the triplet molecular excitons and charge transfer excitons. The experimental data were fit with a coupling energy of a few meV. The coupling mechanism is discussed and it is found to be due to the overlap between the wave functions of the two excitations. (Author) [pt

  9. Different Approaches for the Calculation of Electronic Excited States of Nonstoichiometric Alkali Halide Clusters: The Example of Na3F

    Czech Academy of Sciences Publication Activity Database

    Durand, G.; Heitz, M. C.; Spiegelman, F.; Meier, C.; Mitrić, R.; Bonačić-Koutecký, V.; Pittner, Jiří

    2004-01-01

    Roč. 121, č. 20 (2004), s. 9898-9905 ISSN 0021-9606 R&D Projects: GA AV ČR KSK4040110 Keywords : Wigner distribution approach * optical response properties * sodium - fluoride clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.105, year: 2004

  10. State-specific transport properties of electronically excited Ar and C

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2018-05-01

    In the present study, a theoretical model of state-resolved transport properties in electronically excited atomic species developed earlier is applied to argon and carbon atomic species. It is shown that for Ar and C, similarly to the case of atomic nitrogen and oxygen, the Slater-like models can be applied to calculate diameters of electronically excited atoms. Using the Slater-like model it is shown that for half-filled N (2 px1py1pz1) and full-filled Ar (3 px2py2pz2) electronic shells the growth of atomic radius goes slowly compared to C (2 px1py1) and O (2 px2py1pz1). The effect of collision diameters on the transport properties of Ar and C is evaluated. The influence of accounted number of electronic levels on the transport coefficients is examined for the case of Boltzmann distributions over electronic energy levels. It is emphasized that in the temperature range 1000-14000 K, for Boltzmann-like distributions over electronic states the number of accounted electronic levels do not influence the transport coefficients. Contrary to this, for higher temperatures T > 14000 K this effect becomes of importance, especially for argon.

  11. Directing the path of light-induced electron transfer at a molecular fork using vibrational excitation

    Science.gov (United States)

    Delor, Milan; Archer, Stuart A.; Keane, Theo; Meijer, Anthony J. H. M.; Sazanovich, Igor V.; Greetham, Gregory M.; Towrie, Michael; Weinstein, Julia A.

    2017-11-01

    Ultrafast electron transfer in condensed-phase molecular systems is often strongly coupled to intramolecular vibrations that can promote, suppress and direct electronic processes. Recent experiments exploring this phenomenon proved that light-induced electron transfer can be strongly modulated by vibrational excitation, suggesting a new avenue for active control over molecular function. Here, we achieve the first example of such explicit vibrational control through judicious design of a Pt(II)-acetylide charge-transfer donor-bridge-acceptor-bridge-donor 'fork' system: asymmetric 13C isotopic labelling of one of the two -C≡C- bridges makes the two parallel and otherwise identical donor→acceptor electron-transfer pathways structurally distinct, enabling independent vibrational perturbation of either. Applying an ultrafast UVpump(excitation)-IRpump(perturbation)-IRprobe(monitoring) pulse sequence, we show that the pathway that is vibrationally perturbed during UV-induced electron transfer is dramatically slowed down compared to its unperturbed counterpart. One can thus choose the dominant electron transfer pathway. The findings deliver a new opportunity for precise perturbative control of electronic energy propagation in molecular devices.

  12. Comparison endpoint study of process plasma and secondary electron beam exciter optical emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stephan Thamban, P. L.; Yun, Stuart; Padron-Wells, Gabriel; Hosch, Jimmy W.; Goeckner, Matthew J. [Department of Mechanical Engineering, University of Texas at Dallas, 800W Campbell Road, Richardson, Texas 75080 (United States); Department of Electrical Engineering, University of Texas at Dallas, 800W Campbell Road, Richardson, Texas 75080 (United States); Verity Instruments, Inc., 2901 Eisenhower Street, Carrollton, Texas 75007 (United States); Department of Mathematical Sciences, University of Texas at Dallas, 800 W Campbell Road, Richardson, Texas 75080 (United States)

    2012-11-15

    Traditionally process plasmas are often studied and monitored by optical emission spectroscopy. Here, the authors compare experimental measurements from a secondary electron beam excitation and direct process plasma excitation to discuss and illustrate its distinctiveness in the study of process plasmas. They present results that show excitations of etch process effluents in a SF{sub 6} discharge and endpoint detection capabilities in dark plasma process conditions. In SF{sub 6} discharges, a band around 300 nm, not visible in process emission, is observed and it can serve as a good indicator of etch product emission during polysilicon etches. Based on prior work reported in literature the authors believe this band is due to SiF{sub 4} gas phase species.

  13. Inelastic electron and Raman scattering from the collective excitations in quantum wires: Zero magnetic field

    Directory of Open Access Journals (Sweden)

    Manvir S. Kushwaha

    2013-04-01

    Full Text Available The nanofabrication technology has taught us that an m-dimensional confining potential imposed upon an n-dimensional electron gas paves the way to a quasi-(n-m-dimensional electron gas, with m ⩽ n and 1 ⩽ n, m ⩽ 3. This is the road to the (semiconducting quasi-n dimensional electron gas systems we have been happily traversing on now for almost two decades. Achieving quasi-one dimensional electron gas (Q-1DEG [or quantum wire(s for more practical purposes] led us to some mixed moments in this journey: while the reduced phase space for the scattering led us believe in the route to the faster electron devices, the proximity to the 1D systems left us in the dilemma of describing it as a Fermi liquid or as a Luttinger liquid. No one had ever suspected the potential of the former, but it took quite a while for some to convince the others on the latter. A realistic Q-1DEG system at the low temperatures is best describable as a Fermi liquid rather than as a Luttinger liquid. In the language of condensed matter physics, a critical scrutiny of Q-1DEG systems has provided us with a host of exotic (electronic, optical, and transport phenomena unseen in their higher- or lower-dimensional counterparts. This has motivated us to undertake a systematic investigation of the inelastic electron scattering (IES and the inelastic light scattering (ILS from the elementary electronic excitations in quantum wires. We begin with the Kubo's correlation functions to derive the generalized dielectric function, the inverse dielectric function, and the Dyson equation for the dynamic screened potential in the framework of Bohm-Pines’ random-phase approximation. These fundamental tools then lead us to develop methodically the theory of IES and ILS for the Q-1DEG systems. As an application of the general formal results, which know no bounds regarding the subband occupancy, we compute the density of states, the Fermi energy, the full excitation spectrum [comprised of

  14. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  15. CL 19: Anisotropy of the electron diffraction from femtosecond Laser excited Bismuth

    International Nuclear Information System (INIS)

    Zhou, P.; Ligges, M.; Streubuehr, C.; Brazda, Th.; Payer, Th.; Meyer zu Heringdorf, F.; Horn-von Hoegen, M.; Von der Linde, D.

    2010-01-01

    We report an electron diffraction experiment in Bi in which a linearly polarized E g optical phonon mode is detected after excitation of the material by a femtosecond laser pulse. Bismuth is a semimetal with rhombohedral crystal structure with two atoms in the unit cell. There are two types of optical phonon modes: (i) The totally symmetric A 1g mode which corresponds to a displacement of the atoms along the trigonal (111) direction, and (ii) the doubly degenerate E g mode which represents a motion in the plane perpendicular to (111). The A 1g mode can be coherently excited both by displacive excitation (DE) and by impulsive stimulated Raman scattering (ISRS). Symmetry properties prevent DE of E g modes leaving ISRS as a likely excitation mechanism. We performed time resolved electron diffraction experiments on femtosecond laser excited Bi membranes of 15 nm thickness which were grown on a NaCl crystal and detached by floating in water. The experimental setup is described elsewhere. The fundamental laser beam (800 nm) was used for the excitation of the Bi films. The films had a crystalline structure with the (111) axis perpendicular to the surface. The electron beam passed perpendicular to the surface through the film. In this geometry the diffraction pattern is insensitive to atomic displacements along the (111) direction, i.e. insensitive to A 1g phonon modes. On the other hand, the excitation of E g modes corresponding to atomic displacements in the plane normal to (111) decreases the intensity of particular diffraction orders. The individual cycles of the E g vibrations (duration 475 fs) could not be resolved because our time resolution about 700 fs was not sufficient. In our experiment excitation beam with a fluence of 1 mJ/cm 2 and variable linear polarization was incident from the backside at an angle of 40 degrees (counter propagating electron and laser beam). The diffraction patterns were recorded as a function of the delay time between laser pump and

  16. Alkali adsorption on Ni(1 1 1) and their coadsorption with CO and O

    International Nuclear Information System (INIS)

    Politano, A.; Formoso, V.; Chiarello, G.

    2008-01-01

    The adsorption of alkalis (Na, K) on Ni(1 1 1) and their coadsorption with CO and O were studied by high-resolution electron energy loss spectroscopy. Loss measurements of clean alkali adlayers provided the expected behaviour of the alkali-substrate vibration energy as a function of the alkali coverage. This result was achieved by eliminating any trace of CO contamination from the alkali adlayer. As a matter of fact, a significant softening of the alkali-Ni vibration energy was revealed in the alkali + CO coadsorbed phase. Moreover, alkali coadsorption with oxygen caused a weakening of the O-Ni bond and a strengthening of the alkali-Ni bond

  17. Electronic properties of excited states in single InAs quantum dots

    International Nuclear Information System (INIS)

    Warming, Till

    2009-01-01

    The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy (μPLE). One of the main difficulties using μPLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence (μPL) and μPLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton binding

  18. The estimation of the G-values for ionization and excitation of ten-electron molecules

    International Nuclear Information System (INIS)

    Okazaki, Kiyoshi; Sato, Shin; Ohno, Shin-ichi.

    1976-01-01

    The binary-encounter collision theory is applied to calculate the G-values for the ionization and excitation of methane, ammonia, and water irradiated by 100 keV electrons. Double collision of the incident electron in a molecule is also taken into account. On the assumption of the occurrence of certain reactions in the systems, the G-values for electrons, various radicals, and several final products were estimated. Some of the results are as follows: the G-values for electrons were 3.60 for methane, 3.56 for ammonia, and 3.00 for water. These values are in fair agreement with the experimental values: 3.6 for methane, 3.8 for ammonia, and 3.3 for water. The calculated G-value for hot hydrogen atoms was about 1.0 for all three compounds. The ratios of the G-value for excitation to that for electons are 1.1 for methane, 1.5 for ammonia, and 1.7 for water. An estimation was also made of the G-value for the emission of highly-excited hydrogen atoms using reported cross sections. The G-values are 0.1 for methane and ammonia, and 0.2 for water. (auth.)

  19. EPR investigation of electronic excitations in rare gas solids (Review Article)

    Science.gov (United States)

    Zhitnikov, R. A.; Dmitriev, Yu. A.

    1998-10-01

    The methods are described for producing unstable paramagnetic excited states in rare gas cryocrystals Ne, Ar, Kr, and Xe through the trapping, in the cryocrystals growing from the gas phase, the products of the gas discharge taking place in the same or other rare gas. The paper presents a technique and results of an observation and investigation of excited states in rare gas cryocrystals with electron paramagnetic resonance (EPR). The discovered unstable paramagnetic centers are interpreted as being local metastable excited np5(n+1)s atomic-type states in rare gas cryocrystals which are subject to the action of the anisotropic electric field resulted from the crystal surroundings distorted by the center. An account is given of the mechanisms for formation of observed paramagnetic excited states in cryocrystals which arise owing to the excitation energy of the metastable 3P2 atoms of Ne, Ar, Kr, Xe and He 23S1 and 21S0 atoms that form in the discharge in an appropriate gas and trap in the growing cryocrystal.

  20. Rotational excitation of N2 by electron impact: 1-4 eV

    International Nuclear Information System (INIS)

    Wong, S.F.; Dube, L.

    1978-01-01

    Rotational and rotational-vibrational (v = 0 → 1) excitation in N 2 have been studied with a crossed-beam electron-impact apparatus. In the energy range 1-4 eV, the elastic and vibrational energy-loss peaks show large rotational broadening compared with the apparatus profile (full width at half-maximum, 18 meV). The branching ratios for rotational transitions with Δj = 0, +- 2, +- 4 are obtained with a line-shape analysis applied to the energy-loss profiles. The results for rotational-vibrational excitation at 2.27 eV and scattering angles 30-90 0 are in good agreement with the calculations using the resonant dπ waves and the rotational impulse approximation. The corresponding results for pure rotational excitation show that the branches with Δj = +- 2 and +- 4 are predominantly excited via resonances, while the branch with Δj = 0 contains a large contribution from direct scattering. The absolute rotational cross sections for Δj = +- 4 are measured; they exhibit a large magnitude (10 -16 cm 2 ) and peak and valley structures in the 1-4 eV range, reminiscent of well-known resonant vibrational excitation. The energy dependence and the absolute magnitude of the rotational cross sections for Δj = +- 4 can be understood in terms of a ''boomerang'' calculation. A comparison of the experiment with the relevant theoretical calculations is made

  1. Electron impact excitation out of the 23S metastable level of He

    International Nuclear Information System (INIS)

    Boffard, J.B.; Piech, G.A.; Lagus, M.E.; Anderson, L.W.; Chun C.L.

    1996-01-01

    Using a hollow cathode discharge as a source of He, the authors have measured absolute cross sections for electron excitation out of the 2S level of He into the n=2, 3, 4, and 5 triplet levels for energies up to 20 eV. Their results show a pattern of sharply peaked excitation functions into the n = 3, 4, and 5 3 S and 3 P levels, and comparatively broad excitation functions into the 3 D levels. The 2 3 P level has a remarkably broad excitation function, and its peak direct cross section is over 10 times the size of the next largest peak cross section observed. For energies above 20 eV, the authors use charge exchange of a fast He + beam with cesium to produce a primarily He target. This allows them to extend their measurements for selected triplet levels out to 1 keV. Their data indicate that even at this energy the excitations into the 3 3 S, 3 3 D, 4 3 D have not yet entered the Born regime. Comparisons with other theoretical calculations at low energies will be made

  2. Electron cloud density measurements in accelerator beam-pipe using resonant microwave excitation

    Energy Technology Data Exchange (ETDEWEB)

    Sikora, John P., E-mail: jps13@cornell.edu [CLASSE, Cornell University, Ithaca, NY 14853 (United States); Carlson, Benjamin T. [Carnegie Mellon University, Pittsburgh, PA 15213 (United States); Duggins, Danielle O. [Gordon College, Wenham, MA 01984 (United States); Hammond, Kenneth C. [Columbia University, New York, NY 10027 (United States); De Santis, Stefano [LBNL, Berkeley, CA 94720 (United States); Tencate, Alister J. [Idaho State University, Pocatello, ID 83209 (United States)

    2014-08-01

    An accelerator beam can generate low energy electrons in the beam-pipe, generally called electron cloud, that can produce instabilities in a positively charged beam. One method of measuring the electron cloud density is by coupling microwaves into and out of the beam-pipe and observing the response of the microwaves to the presence of the electron cloud. In the original technique, microwaves are transmitted through a section of beam-pipe and a change in EC density produces a change in the phase of the transmitted signal. This paper describes a variation on this technique in which the beam-pipe is resonantly excited with microwaves and the electron cloud density calculated from the change that it produces in the resonant frequency of the beam-pipe. The resonant technique has the advantage that measurements can be localized to sections of beam-pipe that are a meter or less in length with a greatly improved signal to noise ratio.

  3. Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

    International Nuclear Information System (INIS)

    Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

    2000-01-01

    The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

  4. Analysis of Excitation and Ionization of Atoms and Molecules by Electron Impact

    CERN Document Server

    Chaudhry, Afzal

    2011-01-01

    Analysis of Excitation and Ionization of Atoms and Molecules by Electron Impact, by Afzal Chaudhry and Hans Kleinpoppen, describes in detail the measurements of the partial and total doubly differential cross sections for the multiple-ionization of rare gas atoms by electron impact. These measurements show, among other trends, the role of Auger transitions in the production of multiply ionized atoms in the region where the incident electron energy is sufficient to produce inner shell ionization. Other processes like Coster-Kronig transitions and shake off also contribute towards increasing the charge of the ions. As discussed in the book, an incident electron having energy of 6 keV, for example, in a collision with xenon atom can remove up to nine electrons! The measurements of doubly differential cross sections for the dissociative and non-dissociative ionization of hydrogen, sulfur dioxide and sulfur hexa fluoride molecular gases are also explored. The results of the measurements for the sulfur dioxide mole...

  5. Study of the electronic structure of pure aluminium, aluminium oxide and nitride by spectroscopy of electrons excited under electronic and photonic bombardment (X and UV)

    International Nuclear Information System (INIS)

    Gautier-Soyer, Martine

    1985-01-01

    This research thesis reports the use of electron spectroscopy with electrons excited under electronic or photonic (X or UV) bombardment for the study of electronic state density of aluminium, aluminium oxide (Al 2 O 3 ) and aluminium nitride (AlN). The objective is to get an insight into phenomena related to technological problems of adherence, wear, lubrication, corrosion or breakdown met in metals, insulators and semiconductors. The author highlighted the presence of occupied surface states on Al(111) and Al(100), and electronic levels localised in the forbidden band of Al 2 O 3 and AlN, induced by structural defects which promote surface reactivity [fr

  6. Short-Lived Electronically-Excited Diatomic Molecules Cooled via Supersonic Expansion from a Plasma Microjet

    Science.gov (United States)

    Houlahan, Thomas J., Jr.; Su, Rui; Eden, Gary

    2014-06-01

    Using a pulsed plasma microjet to generate short-lived, electronically-excited diatomic molecules, and subsequently ejecting them into vacuum to cool via supersonic expansion, we are able to monitor the cooling of molecules having radiative lifetimes as low as 16 ns. Specifically, we report on the rotational cooling of He_2 molecules in the d^3Σ_u^+, e^3Π_g, and f^3Σ_u^+ states, which have lifetimes of 25 ns, 67 ns, and 16 ns, respectively. The plasma microjet is driven with a 2.6 kV, 140 ns high-voltage pulse (risetime of 20 ns) which, when combined with a high-speed optical imaging system, allows the nonequilibrium rotational distribution for these molecular states to be monitored as they cool from 1200 K to below 250 K with spatial and temporal resolutions of below 10 μm and 10 ns, respectively. The spatial and temporal resolution afforded by this system also allows the observation of excitation transfer between the f^3Σ_u^+ state and the lower lying d^3Σ_u^+ and e^3Π_g states. The extension of this method to other electronically excited diatomics with excitation energies >5 eV will also be discussed.

  7. Time delay for resonant vibrational excitation in electron--molecule collisions

    International Nuclear Information System (INIS)

    Gauyacq, J.P.

    1990-01-01

    An analysis of the time delay associated with vibrational excitation in electron--molecule collision is presented. It consists of a direct study of the time dependence of the process for three model systems. An electron wave packet, that is narrow in time, is sent on the target and the amplitudes in the different inelastic channels are studied as functions of time. The time delay is found to correspond to very different time effects: broadenings, shifts in time of the wave packet, but also complex distortions that cannot be represented by a time delay. The direct analysis of the scattered wave also provides new insights into the vibrational excitation process. It should be a useful tool to analyze complex collision processes

  8. Inelastic light scattering by low-lying excitations of electrons in low-dimensional semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrini, V. [NEST CNR-INFM and Scuola Normale Superiore, Pisa (Italy); Pinczuk, A. [Department of Physics, Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey (United States)

    2006-11-15

    The low-dimensional electron systems that reside in artificial semiconductor heterostructures of great perfection are a contemporary materials base for explorations of collective phenomena. Studies of low-lying elementary excitations by inelastic light scattering offer insights on properties such energetics, interactions and spin magnetization. We review here recent light scattering results obtained from two-dimensional (2D) quantum fluids in semiconductor heterostructures under extreme conditions of low temperature and large magnetic field, where the quantum Hall phases are archetypes of novel behaviors. We also consider recent light scattering experiments that have probed the excitation spectra of few-electron states in semiconductor quantum dots. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Electron energy distributions and excitation rates in high-frequency argon discharges

    International Nuclear Information System (INIS)

    Ferreira, C.M.; Loureiro, J.

    1983-06-01

    The electron energy distribution functions and rate coefficients for excitation and ionisation in argon under the action of an uniform high-frequency electric field were calculated by numerically solving the homogeneous Boltzmann equation. Analytic calculations in the limiting cases ω>>νsub(c) and ω<<νsub(c), where ω is the wave angular frequency and νsub(c) is the electron-neutral collision frequency for momentum transfer, are also presented and shown to be in very good agreement with the numerical computations. The results reported here are relevant for the modelling of high-frequency discharges in argon and, in particular, for improving recent theoretical descriptions of a plasma column sustained by surface microwaves. The properties of surface wave produced plasmas make them interesting as possible substitutes for other more conventional plasma sources for such important applications as plasma chemistry laser excitation, plasma etching spectroscopic sources etc...

  10. Electronic excitation in transmission of relativistic H- ions through thin foils

    International Nuclear Information System (INIS)

    Reinhold, C.O.; Kuerpick, P.; Burgdoerfer, J.; Yoshida, S.

    1998-01-01

    The authors describe a theoretical model to study the transmission of relativistic H - ions through thin carbon foils. The approach is based on a Monte Carlo solution of the Langevin equation describing electronic excitations of the atoms during the transport through the foil. Calculations for the subshell populations of outgoing hydrogen atoms are found to be in good agreement with recent experimental data on an absolute scale and show that there exists a propensity for populating extreme Stark states

  11. Electron impact excitation of positive ions calculated in the Coulomb-Born approximation

    International Nuclear Information System (INIS)

    Nakazaki, Shinobu; Hashino, Tasuke

    1979-08-01

    Theoretical results on the electron impact excitation of positive ions are surveyed through the end of 1978. As a guide to the available data, a list of references is made. The list shows ion species, transitions, energy range and methods of calculation for the respective data. Based on the literature survey, the validity of the Coulomb-Born approximation is investigated. Comparisons with the results of the close-coupling and the distorted-wave methods are briefly summarized. (author)

  12. The levels of the first excited configuration of one-electron ions in intensive alternating field

    International Nuclear Information System (INIS)

    Klimchitskaya, G.L.

    1984-01-01

    The relativistic generalization of the quasi-energy method is applied for the calculation of the influence of spatjally-homogeneous electric field with the periodic time dependence on the energy levels of the first excited configuration of one-electron multiply charged ions. The dependence is found of the corresponding quasi-energy levels on the amplitude and frequency of intensive external field which wholly mixes the levels of fine structure

  13. Photo- and radiation chemical studies of intermediates involved in excited-state electron-transfer reactions

    International Nuclear Information System (INIS)

    Hoffman, M.Z.

    1985-01-01

    Excited-state inter- and intramolecular electron-transfer reactions lie at the heart of the most photochemical solar energy conversion schemes. The authors research, which has utilized the techniques of continuous and pulsed photolysis and radiolysis, has focused on three general aspects of these reactions involving transition metal coordination complexes and electron donor-acceptor complexes: i) the effect of solution medium on the properties and quenching of the excited states; ii) the control of the quantum yields of formation of redox products; iii) the mechanism by which reduced species interact with water to yield H 2 homogeneously and heterogeneously. EDTA is among the most popular sacrificial electron donors used in model systems. Its role is to scavenge the oxidized form of the photosensitizer in order to prevent its rapid reaction with the reduced form of the electron relay species that results from the electron-transfer quenching of the excited photosensitizer. In systems involving MV 2+ , the radicals resulting from the oxidation of EDTA can eventually lead to the generation of a second equivalent of MV + ; the reducing agent is believed to be a radical localized on the carbon atom alpha to the carboxylate group. The reaction of radiolytically-generated OH/H with EDTA produces this radical directly via H-abstraction or indirectly via deprotonation of the carbon atom adjacent to the nitrogen radical site in the oxidized amine moiety; it reduces MV 2+ with rate constants of 2.8 x 10 9 , 7.6 x 10 9 , and 8.5 x 10 6 M -1 s -1 at pH 12.5, 8.3, and 4.7, respectively. Degradative decarboxylation of EDTA-radicals and their back electron-transfer reactions are enhanced in acidic solution causing the yield of MV + to be severely diminished

  14. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    International Nuclear Information System (INIS)

    Khvostenko, O.G.

    2014-01-01

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy

  15. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru

    2014-08-15

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy.

  16. Wave excitation in electron beam experiment on Japanese satellite JIKIKEN (EXOS-B)

    International Nuclear Information System (INIS)

    Kawashima, N.

    1982-01-01

    This chapter reports on a beam-plasma interaction experiment conducted in the magnetosphere by emitting an electron beam (100-200 eV, 0.25-1.0 mA) from the JIKIKEN satellite. Topics considered include instrumentation, wave excitation, and the charging of the satellite. Various types of wave emission are detected by low frequency and high frequency wave detectors. Waves near upper-hybrid frequency and at electron cyclotron frequency are detected in a low L-value region, which will be useful diagnostic means for plasma density and magnetic field. Vehicle charging up to the beam energy is observed outside the plasmapause. The main objectives of the Controlled Beam Experiment (CBE) are to control the satellite potential by an electron beam emission, and to study the wave excitation (linear and non-linear wave phenomena due to the beam-plasma interaction). It is concluded that waves excited in the beamplasma interaction are strongly dependent on plasma and other parameters in the magnetosphere so that it will provide important knowledge of the magnetosphere plasma processes

  17. NO-γ emissions from streamer discharges: direct electron impact excitation versus resonant energy transfer

    International Nuclear Information System (INIS)

    Liu Ningyu; Pasko, Victor P

    2010-01-01

    It has been established that production of NO-γ emission in pulsed corona discharges is dominated by the energy transfer from N 2 (A 3 Σ u + ) to the NO ground state NO(X 2 Π r ) while direct excitation by electron impact is negligible. However, recent studies suggest that the electron impact excitation plays a more important role. In this work, we report modelling results of NO-γ emission associated with streamer discharges using two cross section data sets available in the literature. The first set was originally reported by Mojarrabi et al (1996 Phys. Rev. A 54 2977-82) and later updated by Brunger et al (2000 J. Phys. B: At. Mol. Opt. Phys. 33 809-19); the second set was published by Hayashi (1990 Nonequilibrium Processes in Partially Ionized Gases (NATO Advanced Science Institutes Series, Series B, Physics vol 220) ed M Capitelli and J N Bardsley (New York: Plenum) pp 333-40). According to the results, the role played by the electron impact excitation in the production of NO-γ is drastically different when different cross sections are used. The results indicate that the first data set leads to better agreement with experimental measurements. (fast track communication)

  18. Electron capture and excitation processes in H+-H collisions in dense quantum plasmas

    Science.gov (United States)

    Jakimovski, D.; Markovska, N.; Janev, R. K.

    2016-10-01

    Electron capture and excitation processes in proton-hydrogen atom collisions taking place in dense quantum plasmas are studied by employing the two-centre atomic orbital close-coupling (TC-AOCC) method. The Debye-Hückel cosine (DHC) potential is used to describe the plasma screening effects on the Coulomb interaction between charged particles. The properties of a hydrogen atom with DHC potential are investigated as a function of the screening strength of the potential. It is found that the decrease in binding energy of nl levels with increasing screening strength is considerably faster than in the case of the Debye-Hückel (DH) screening potential, appropriate for description of charged particle interactions in weakly coupled classical plasmas. This results in a reduction in the number of bound states in the DHC potential with respect to that in the DH potential for the same plasma screening strength, and is reflected in the dynamics of excitation and electron capture processes for the two screened potentials. The TC-AOCC cross sections for total and state-selective electron capture and excitation cross sections with the DHC potential are calculated for a number of representative screening strengths in the 1-300 keV energy range and compared with those for the DH and pure Coulomb potential. The total capture cross sections for a selected number of screening strengths are compared with the available results from classical trajectory Monte Carlo calculations.

  19. Coherent correlation enhancement of outer shell photoionization cross sections of alkali-like ions

    International Nuclear Information System (INIS)

    Amusia, M.Y.; Avdonina, B.; Pratt, R.H.

    1995-01-01

    An alkali-like ion interaction with inner electrons of an alkali-like ion leads to a significant increase in the photoionization cross section of the outer s electron. This occurs not only for ground-state ions with one s electron in the outer shell, but also when the outer s electron is in an excited state. The reason for this amplification, in addition to coherent enhancement in summing of the correlation amplitudes, is that the zero in the direct amplitude occurs below threshold. This leads to a constructive interference with the correlation amplitude above the photoionization threshold, in contrast to a destructive interference in the case of a neutral atom with the same electronic configuration, for which the zero occurs above threshold. Results of this research were published

  20. Electron impact excitation of complex atoms and ions. Pt. 2: forbidden transitions in Ni+

    International Nuclear Information System (INIS)

    Watts, M.S.T.; Berrington, K.A.; Burke, P.G.

    1996-01-01

    This letter reports the first application of the new R-matrix program package RMATRX II to electron impact excitation of a near neutral open d-shell ion. In this calculation for Ni + , all states corresponding to the configuration 3d 9 , 3d 8 4s and 3d 8 4p have been included in the expansion of the total wavefunction. Thermally averaged collision strengths for forbidden transitions involving the even parity states are presented in tabular form for temperatures between 5000 K and 20 000 K. The importance of including accurate C1 expansions for both the target and the (N + 1)-electron terms is demonstrated. (Author)

  1. Monte Carlo calculation of collisions of directionally-incident electrons on highly excited hydrogen atoms

    International Nuclear Information System (INIS)

    Kawakami, Kazuki; Fujimoto, Takasi

    2001-01-01

    We treat classically the n-, l- and m r -changing transitions and ionization. Excitation cross sections against the final state energy continue smoothly to the 'ionization cross sections'. The steady state populations determined by elastic collisions among the degenerate states in the same n level show higher populations in the m 1 =0 states, suggesting positive polarizations of Lyman lines emitted from plasmas having directional electrons. For ionization, the two outgoing electrons have large relative angles, suggesting reduced three body recombination rates for these plasmas. (author)

  2. Excitation and ionization of ions by electron impact. Technical progress report, September 1, 1974--May 31, 1975

    International Nuclear Information System (INIS)

    Feeney, R.K.; Divine, T.F.; Kovac, R.M.; McPherson, D.; Sayle, W.E.

    1975-01-01

    This effort is devoted to experimental measurements of electron impact excitation and ionization cross sections of ions. The cross sections of interest are those of importance in the diagnostics of CTR plasmas. Current tasks include: the completion of absolute measurements of the electron impact cross sections for Rb + , Cs + , and Tl + ions; and determination of the absolute electron impact excitation cross sections for selected transitions in Li + and other He-, Li-, and Be-like ions. (U.S.)

  3. The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study

    International Nuclear Information System (INIS)

    Hübner, Olaf; Hornung, Julius; Himmel, Hans-Jörg

    2015-01-01

    The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound

  4. Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-09-07

    We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energy condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.

  5. An experimental and theoretical investigation into the excited electronic states of phenol

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B.; Chiari, L. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

    2014-08-21

    We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3° and 50° have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential.

  6. Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

    Science.gov (United States)

    Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

    2016-01-29

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

  7. Ab initio structural and electronic properties of hydrogenated silicon nanoclusters in the ground and excited state

    International Nuclear Information System (INIS)

    Degoli, Elena; Bisi, O.; Ossicini, Stefano; Cantele, G.; Ninno, D.; Luppi, Eleonora; Magri, Rita

    2004-01-01

    Electronic and structural properties of small hydrogenated silicon nanoclusters as a function of dimension are calculated from ab initio technique. The effects induced by the creation of an electron-hole pair are discussed in detail, showing the strong interplay between the structural and optical properties of the system. The distortion induced on the structure after an electronic excitation of the cluster is analyzed together with the role of the symmetry constraint during the relaxation. We point out how the overall effect is that of significantly changing the electronic spectrum if no symmetry constraint is imposed to the system. Such distortion can account for the Stokes shift and provides a possible structural model to be linked to the four-level scheme invoked in the literature to explain recent results for the optical gain in silicon nanoclusters. Finally, formation energies for clusters with increasing dimension are calculated and their relative stability discussed

  8. Double-sided electron-beam generator for KrF laser excitation

    International Nuclear Information System (INIS)

    Schlitt, L.; Swingle, J.

    1980-05-01

    Several laser systems excited by electron beam have been identified as candidates for pump sources for laser fusion applications. The electron beam generators required must be compact, reliable and capable of synchronization with other system components. A KrF laser producing a minimum output of 25 J was needed for the RAPIER (Raman Amplifier Pumped by Intensified Excimer Radiation) system. A double-sided electron beam system was designed and constructed specifically for this purpose and has produced > 35 J of KrF output. Each of the two electron beam machines in the system operates with an rms jitter of 0.4 ns and together occupy approx. 3.5 m 2 of floor space. The successful operation of this laser has engendered requests for a description of the engineering details of this system. This document contains a brief description of the design issues and a full set of engineering drawings for this KrF laser amplifier

  9. Analytical formulation for modulation of time-resolved dynamical Franz-Keldysh effect by electron excitation in dielectrics

    Science.gov (United States)

    Otobe, T.

    2017-12-01

    Analytical formulation of subcycle modulation (SCM) of dielectrics including electron excitation is presented. The SCM is sensitive to not only the time-resolved dynamical Franz-Keldysh effect (Tr-DFKE) [T. Otobe et al., Phys. Rev. B 93, 045124 (2016), 10.1103/PhysRevB.93.045124], which is the nonlinear response without the electron excitation, but also the excited electrons. The excited electrons enhance the modulation with even harmonics of pump laser frequency, and generate the odd-harmonics components. The new aspect of SCM is a consequence of (i) the interference between the electrons excited by the pump laser and those excited by the probe-pulse laser and (ii) oscillation of the generated wave packed by the pump laser. When the probe- and pump-pulse polarizations are parallel, the enhancement of the even harmonics and the generation of the odd-harmonics modulation appear. However, if the polarizations are orthogonal, the effect arising from the electron excitations becomes weak. By comparing the parabolic and cosine band models, I found that the electrons under the intense laser field move as quasifree particles.

  10. Differential cross sections for intermediate-energy electron scattering from α-tetrahydrofurfuryl alcohol: Excitation of electronic-states

    Energy Technology Data Exchange (ETDEWEB)

    Chiari, L.; Jones, D. B.; Thorn, P. A.; Pettifer, Z. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Duflot, D. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR CNRS 8523, Université Lille, F-59655 Villeneuve d’Ascq Cedex (France); Hubin-Franskin, M.-J.; Delwiche, J. [Départment de Chimie, Université de Liège, Institut de Chimie-Bât. B6C, B-4000 Liège 1 (Belgium); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Madrid E-28006 (Spain); and others

    2014-07-14

    We report on measurements of differential cross sections (DCSs) for electron impact excitation of a series of Rydberg electronic-states in α-tetrahydrofurfuryl alcohol (THFA). The energy range of these experiments was 20–50 eV, while the scattered electron was detected in the 10°–90° angular range. There are currently no other experimental data or theoretical computations against which we can directly compare the present measured results. Nonetheless, we are able to compare our THFA DCSs with earlier cross section measurements for Rydberg-state electronic excitation for tetrahydrofuran, a similar cyclic ether, from Do et al. [J. Chem. Phys. 134, 144302 (2011)]. In addition, “rotationally averaged” elastic DCSs, calculated using our independent atom model with screened additivity rule correction approach are also reported. Those latter results give integral cross sections consistent with the optical theorem, and supercede those from the only previous study of Milosavljević et al. [Eur. Phys. J. D 40, 107 (2006)].

  11. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    International Nuclear Information System (INIS)

    Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

    2015-01-01

    Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S(λ 1 ,T ~ 2 ,λ 3 )) along the population time (T ~ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S(λ 1 ,ν ~ 2 ,λ 3 )). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ν ~ 2 ) in the rephasing beating map and at negative frequency (−ν ~ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems

  12. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin

    2015-06-07

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  13. Observation of Electronic Excitation Transfer Through Light Harvesting Complex II Using Two-Dimensional Electronic-Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, NHC; Gruenke, NL; Oliver, TAA; Ballottari, M; Bassi, R; Fleming, GR

    2016-10-05

    Light-harvesting complex II (LHCII) serves a central role in light harvesting for oxygenic photosynthesis and is arguably the most important photosynthetic antenna complex. In this article, we present two-dimensional electronic–vibrational (2DEV) spectra of LHCII isolated from spinach, demonstrating the possibility of using this technique to track the transfer of electronic excitation energy between specific pigments within the complex. We assign the spectral bands via comparison with the 2DEV spectra of the isolated chromophores, chlorophyll a and b, and present evidence that excitation energy between the pigments of the complex are observed in these spectra. Lastly, we analyze the essential components of the 2DEV spectra using singular value decomposition, which makes it possible to reveal the relaxation pathways within this complex.

  14. Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

    Science.gov (United States)

    Joo, Taiha; Albrecht, A. C.

    1993-06-01

    Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

  15. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    International Nuclear Information System (INIS)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-01-01

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism

  16. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    Science.gov (United States)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-06-01

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  17. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-21

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  18. Optical emission from a high-refractive-index waveguide excited by a traveling electron beam

    International Nuclear Information System (INIS)

    Kuwamura, Yuji; Yamada, Minoru; Okamoto, Ryuichi; Kanai, Takeshi; Fares, Hesham

    2008-01-01

    An optical emission scheme was demonstrated, in which a high-refractive-index waveguide is excited by a traveling electron beam in a vacuum environment. The waveguide was made of Si-SiO 2 layers. The velocity of light propagating in the waveguide was slowed down to 1/3 of that in free space due to the high refractive index of Si. The light penetrated partly into the vacuum in the form of a surface wave. The electron beam was emitted from an electron gun and propagated along the surface of the waveguide. When the velocity of the electron coincided with that of the light, optical emission was observed. This emission is a type of Cherenkov radiation and is not conventional cathode luminescence from the waveguide materials because Si and SiO 2 are transparent to light at the emitted wavelength. This type of emission was observed in an optical wavelength range from 1.2 to 1.6 μm with an electron acceleration voltage of 32-42 kV. The characteristics of the emitted light, such as the polarization direction and the relation between the acceleration voltage of the electron beam and the optical wavelength, coincided well with the theoretical results. The coherent length of an electron wave in the vacuum was confirmed to be equal to the electron spacing, as found by measuring the spectral profile of the emitted light

  19. Cross sections for electron-impact excitation of argon by fourier transform spectroscopy

    International Nuclear Information System (INIS)

    Chilton, J.E.; Boffard, J.B.; Chun C.L.

    1996-01-01

    The authors report absolute measurements of electron-impact excitation cross sections out of the ground level to the ten levels in the 3p 5 4p configuration of argon. The apparent excitation cross sections are determined by measuring the optical cross sections for the emission lines in the 3p 5 4p → 3p 5 4s manifold. For cascade corrections the authors measured the optical cross sections for the various 3p 5 5s → 3p 5 4p and 3p 5 4p infrared lines using a Fourier transform weak emission spectrometer to obtain the direct excitation cross sections from the optical data. Although the optical cross sections vary with pressure in the regime of 0.1 to 6 mTorr, the direct cross sections remain invariant. These pressure effects are understood within the framework of a radiation-reabsorption model. The excitation functions for the different transitions are also found to show considerable variation in shape

  20. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

    Science.gov (United States)

    Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

    2017-08-01

    We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

  1. Electron excitation coefficients of neutral and ionic levels of krypton in Townsend discharges

    International Nuclear Information System (INIS)

    Malovic, G.N.; Strinic, A.I.; Petrovic, Z.Lj.; Sadeghi, N.

    2006-01-01

    In this paper, we present experimental results for excitation coefficients of krypton atoms to several Kr and Kr + excited levels for E/N (electric field to gas particle number density ratio usually in units of Townsend, 1 Td = 10 -21 V m 2 ) values from 7 x 10 -20 V m 2 to above 1 x 10 -17 V m 2 . The data have been obtained in two different parallel plate self-sustained Townsend discharge drift tubes. The spatial distribution of the emission intensities were recorded and then normalized to give excitation coefficients at the anode, by using the electron flux at this point. The values of these coefficients are placed on an absolute scale by using a standard tungsten ribbon lamp calibrated against a primary blackbody radiation standard. The ionization rates at different E/N are obtained from the spatial emission profiles. The data for atomic krypton levels 2p 2 , 2p 3 , 2p 5 , 2p 6 , 2p 7 , 2p 8 , 3p 5 and 3p 6 (in Paschen notation) were converted to excitation coefficients by using quenching coefficients from the literature. The emission coefficients of eight 4s 2 4p 4 ( 3 P)5p levels of Kr + have also been measured for E/N values from about 1 x 10 -18 V m 2 up to nearly 8 x 10 -18 V m 2

  2. Absence of quantum oscillations in electronic excitation transfer in the Fenna-Matthews-Olson complex

    Science.gov (United States)

    Eisfeld, Alexander; Ritschel, Gerhard; Roden, Jan; Strunz, Walter; Aspuru-Guzik, Alan

    2012-02-01

    Energy transfer in the photosynthetic Fenna-Matthews-Olson (FMO) complex of the Green Sulfur Bacteria is studied theoretically taking all three subunits (monomers) of the FMO trimer and the recently found eighth bacteriochlorophyll (BChl) molecule into account. For the calculations we use the efficient Non-Markovian Quantum State diffusion approach. Since it is believed that the eighth BChl is located near the main light harvesting antenna we look at the differences in transfer between the situation when BChl 8 is initially excited and the usually considered case when BChl 1 or 6 is initially excited. We find strong differences in the transfer dynamics, both qualitatively and quantitatively. When the excited state dynamics is initialized at site eight of the FMO complex, we see a slow exponential-like decay of the excitation. This is in contrast to the oscillations and a relatively fast transfer that occurs when only seven sites or initialization at sites 1 and 6 is considered. Additionally we show that differences in the values of the electronic transition energies found in the literature lead to a large difference in the transfer dynamics.

  3. Assessment of oscillator strengths with multiconfigurational short-range density functional theory for electronic excitations in organic molecules

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan

    2017-01-01

    considered the large collection of organic molecules whose excited states were investigated with a range of electronic structure methods by Thiel et al. As a by-product of our calculations of oscillator strengths, we also obtain electronic excitation energies, which enable us to compare the performance......We have in a series of recent papers investigated electronic excited states with a hybrid between a complete active space self-consistent field (CASSCF) wave function and density functional theory (DFT). This method has been dubbed the CAS short-range DFT method (CAS–srDFT). The previous papers...

  4. A simple equilibrium theoretical model and predictions for a continuous wave exciplex pumped alkali laser

    International Nuclear Information System (INIS)

    Carroll, David L; Verdeyen, Joseph T

    2013-01-01

    The exciplex pumped alkali laser (XPAL) system has been demonstrated in mixtures of Cs vapour, Ar, with and without ethane, by pumping Cs-Ar atomic collision pairs and subsequent dissociation of diatomic, electronically excited CsAr molecules (exciplexes or excimers). The blue satellites of the alkali D 2 lines provide an advantageous pathway for optically pumping atomic alkali lasers on the principal series (resonance) transitions with broad linewidth (>2 nm) semiconductor diode lasers. The development of a simple theoretical analysis of continuous-wave XPAL systems is presented along with predictions as a function of temperature and pump intensity. The model predicts that an optical-to-optical efficiency in the range of 40-50% can be achieved for XPAL.

  5. Electric dipole excitation of {sup 208}Pb by polarized electron impact

    Energy Technology Data Exchange (ETDEWEB)

    Jakubassa-Amundsen, D.H. [University of Munich, Mathematics Institute, Munich (Germany); Ponomarev, V.Yu. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany)

    2016-03-15

    The cross sections and spin asymmetries for the excitation of 1{sup -} states in {sup 208}Pb by transversely polarized electrons with collision energy of 30-180MeV have been examined within the DWBA scattering formalism. As examples, we have considered a low-lying 1{sup -} state and also states belonging to the pygmy dipole and giant dipole resonances. The structure of these states and their corresponding transition charge and current densities have been taken from an RPA calculation within the quasiparticle phonon model. The complex-plane rotation method has been applied to achieve the convergence of the radial DWBA integrals for backward scattering. We have studied the behaviour of the cross sections and spin asymmetries as a function of electron energy and scattering angle. The role of the longitudinal and transversal contributions to the excitation has been thoroughly studied. We conclude that the spin asymmetry S, related to unpolarized outgoing electrons, is mostly well below 1% even at the backward scattering angles and its measurement provides a challenge for future experiments with polarized electrons. (orig.)

  6. Experimental system to measure excitation cross-sections by electron impact. Measurements for ArI and ArII

    International Nuclear Information System (INIS)

    Blanco, F.; Sanchez, J.A.; Aguilera, J.A.; Campos, J.

    1989-01-01

    An experimental set-up to measure excitation cross-section of atomic and molecular levels by electron impact based on the optical method is reported. We also present some measurements on the excitation cross-section for ArI 5p'(1/2)0 level, and for simultaneous ionization and excitation of Ar leading to ArII levels belonging to the 3p 4 4p and 3p 4 4d configurations. (Author)

  7. Intensities of the Martian N2 electron-impact excited dayglow emissions

    Science.gov (United States)

    Fox, Jane L.; Hać, Nicholas E. F.

    2013-06-01

    The first N2 emissions in the Martian dayglow were detected by the SPICAM UV spectrograph on board the Mars Express spacecraft. Intensities of the (0,5) and (0,6) Vegard-Kaplan bands were found to be about one third of those predicted more than 35 years ago. The Vegard-Kaplan band system arises from the transition from the lowest N2 triplet state (A3Σu+;v') to the electronic ground state (X1Σg+;v″). It is excited in the Martian dayglow by direct electron-impact excitation of the ground N2(X) state to the A state and by excitation to higher triplet states that populate the A state by cascading. Using revised data, we compute here updated intensities of several of the bands in the N2 triplet systems and those involving the a1Πg state, the upper state of the Lyman-Birge-Hopfield bands. We find that the predicted limb intensities for the (0,5) and (0,6) Vegard-Kaplan bands are consistent with the measured values.

  8. A nonlocal, ab initio model of dissociative electron attachment and vibrational excitation of NO

    International Nuclear Information System (INIS)

    Trevisan, Cynthia S.; Houfek, Karel; Zhang, Zhiyong; Orel, Ann E.; McCurdy, C. William; Rescigno, Thomas N.

    2005-01-01

    We present the results of an ab initio study of elastic scattering and vibrational excitation of NO by electron impact in the loW--energy (0-2 eV) region where the cross sections are dominated by resonance contributions. The 3Sigma-, 1Delta and 1Sigma+ NO- resonance lifetimes are taken from our earlier study [Phys. Rev. A 69, 062711 (2004)], but the resonance energies used here are obtained from new configuration-interaction studies. Here we employ a more elaborate nonlocal treatment of the nuclear dynamics, which is found to remedy the principal deficiencies of the local complex potential model we employed in our earlier study, and gives cross sections in better agreement with the most recent experiments. We also present cross sections for dissociative electron attachment to NO leading to groundstate products. The calculations show that, while the peak cross sections starting from NO in its ground vibrational state are very small, the cross sections are extremely sensitive to vibrational excitation of the target and should be readily observable for target NO molecules excited to v = 10 and above

  9. M series resonant x-ray lines of barium for near threshold electron excitation

    International Nuclear Information System (INIS)

    Morgon, D.V.

    1992-01-01

    An investigation of the M series resonant x-ray emission lines of barium for near threshold electron excitation was undertaken with a vacuum double crystal spectrometer equipped with potassium acid phthalate crystals. X-ray continuum isochromats were obtained for barium samples using the double crystal spectrometer as a monochrometer set to pass 532 eV photons. The rotatable anode allowed the samples to be observed by either the double crystal spectrometer or a soft x-ray appearance potential spectrometer, which was used for monitoring the surface of the varium sample for contamination, and to provide a cross-check for the double crystal spectrometer data. Barium M series characteristic x-ray spectra for 2.0 keV electron excitation were obtained for a variety of samples, and it was discovered that the fluorescent and resonant x-ray emission line energies remained virtually the same, regardless of the chemical condition of the sample. The continuum resonance effect was observed for near-threshold energy electron excitation, but it was significantly weaker than the same effect observed previously for lanthanum or cerium. The electron excitation energy and intensity of this effect were strongly dependent on the chemical condition of the barium sample. X-ray continuum isochromats were observed for pure and contaminated barium samples at a photon energy of 532 eV. For pure metallic barium, a peak associated with 4f electronic states was observed at an energy of about 10.2 eV above the Fermi level. When the sample was exposed to 1.5 x 10 4 Langmuir of air, the 4f structure became more sharply peaked, and shifted to an energy of about 12.0 eV above the Fermi level. A continuum isochromat of barium oxide was also observed. Chemical shifts in barium M IV and M V appearance potential spectra are therefore caused soley by shifts in the energy position of the empty 4f electronic states relative to the Fermi level

  10. Measurement of cross-sections for step-bystep excitation of inert gas atoms from metastable states by electron collisions

    International Nuclear Information System (INIS)

    Mityureva, A.A.; Penkin, N.P.; Smirnov, V.V.

    1989-01-01

    Excitation of argon atoms by electron collisions from metastable (MS) to high-lying states of inert gases (the so-called step-by-step excitation) is investigated. Formation of MS atoms m and their further step-by-step excitation up to k level is carried out by an electron beam with energy from 1 up to 40 eV. Time distribution of forming metastable and step-by-step electron collisions is used. The method used permits to measure the functions of step-by-step excitation and the absolute values of cross sections. Absolute values of cross-sections and functions of step-by-step excitation of some lines and argon levels are obtained

  11. Energy loss spectroscopy study of Si(111)--alkali metal interfaces at low temperatures

    International Nuclear Information System (INIS)

    Avci, R.

    1986-01-01

    Studies are made at approx.150 K under ultrahigh vacuum conditions on a wide range of alkali metal coverages on Si(111)-7 x 7. Negative second-derivative backscattered electron energy loss spectroscopy is used with 100 eV primary electrons. The interaction of the alkali metals with the silicon substrate goes through two stages as a function of alkali coverage: In the initial coverages, for less than approx.0.3 monolayer of alkali atoms, the basic reaction is that of charge transfer from the alkali atoms to the Si surface with a loss peak at approx.3.3 eV associated with the charge transfer states. The second stage of reaction: starting after the depletion of all the Si surface states: falls in a coverage range between approx.0.3 and approx.1 monolayer, in which the formation of a metallic layer with a coverage-dependent loss feature at about 2 eV is observed. At still higher coverages, multiple surface and bulk plasmon excitations and their combinations are dominant. In the overall scattering processes most of the parallel momentum (approx.3 A -1 ) is transferred to the sample during the elastic backscattering from the surface, and all the losses are essentially attributed to the forward inelastic scattering before and/or after the elastic process takes place near the metal/Si interface

  12. Shape resonances and the excitation of helium autoionising states by electrons in the 57-66 eV region

    International Nuclear Information System (INIS)

    Burgt, P.J.M. van der; Eck, J. van; Heideman, H.G.M.

    1986-01-01

    Optical excitation functions of singly excited helium states are presented, measured by detecting the yield of emitted photons as a function of the incident electron energy from 56 to 66 eV. Many structures are observed, which are caused by negative-ion resonances and by the decay of autoionising states followed by post-collision interaction. Some of the structures are interpreted as being caused by hitherto unknown shape resonances lying very close to the thresholds of a particular class of autoionising states. As these shape resonances almost exclusively decay to their respective parent (autoionising) states, thereby considerably enhancing the threshold excitation cross sections of these states, they can only be observed via the PCI effect on the excitation functions of (higher lying) singly excited states. Using the recently introduced supermultiplet classification for doubly excited states a selection rule for the near-threshold excitation of doubly excited states by electron impact is deduced from the measurements. Only states with large probabilities in the Wannier region of configuration space (where the two electrons are at nearly equal distances and on opposite sides of the nucleus) are strongly excited. It is pointed out that these states are precisely the states that can support the above mentioned shape resonances at their thresholds. (author)

  13. Inner-Shell Excitations of 2p Electrons of Argon Investigated by Fast Electron Impact with High Resolution

    International Nuclear Information System (INIS)

    Ren Lin-Mao; Wang You-Yan; Li Dong-Dong; Yuan Zhen-Sheng; Zhu Lin-Fan

    2011-01-01

    Electron energy loss spectra of inner-shell excitations of 2p electrons of argon are measured at an incident electron energy of 2500 eV and scattering angles of 0° and 4°. The dipole-forbidden transitions of 2p −1 3/2 4p and 2p −1 3/2 5p are observed in the measured spectra and assigned based on the calculations of the Cowan code. The positions and line widths for the excitations of 2p −1 3/2 nl and 2p −1 1/2 nl (n ≤ 5) of argon are determined. The present results show that the line widths of the electric quadrupole transitions of 2p −1 3/2 4p[5/2 + 3/2] 2 and the electric monopole one of 2p −1 3/2 4p[1/2] 0 are less than those of the dipole-allowed transitions. (atomic and molecular physics)

  14. High mass-resolution electron-ion-ion coincidence measurements on core-excited organic molecules

    CERN Document Server

    Tokushima, T; Senba, Y; Yoshida, H; Hiraya, A

    2001-01-01

    Total electron-ion-ion coincidence measurements on core excited organic molecules have been carried out with high mass resolution by using multimode (reflectron/linear) time-of-flight mass analyzer. From the ion correlation spectra of core excited CH sub 3 OH and CD sub 3 OH, the reaction pathway to form H sub 3 sup + (D sub 3 sup +) is identified as the elimination of three H (D) atoms from the methyl group, not as the inter-group (-CH sub 3 and -OH) interactions. In a PEPIPICO spectrum of acetylacetone (CH sub 3 COCH sub 2 COCH sub 3) measured by using a reflectron TOF, correlations between ions up to mass number 70 with one-mass resolution was recorded.

  15. Luminescence of Ga2O3 Crystals Excited with a Runaway Electron Beam

    Science.gov (United States)

    Burachenko, A. G.; Beloplotov, D. V.; Prudaev, I. A.; Sorokin, D. A.; Tarasenko, V. F.; Tolbanov, O. P.

    2017-12-01

    The spectra and amplitude-time characteristics of the radiation of studied Sn and Fe-doped Ga2O3 crystals excited with a runaway electron beam and an excilamp with a wavelength of 222 nm were investigated. The main contribution to the luminescence of samples in the region of 280-900 nm under excitation with a beam was shown to be made by cathodoluminescence. In the Fe-doped crystal, a new cathodeand photoluminescence band was detected within a wavelength range of 650-850 nm. In the Sn-doped crystal, Vavilov-Cherenkov radiation was detected in the region of 280-300 nm using a monochromator and a photomultiplier.

  16. Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

    Science.gov (United States)

    Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

    2012-12-01

    Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13

  17. Bond selective photochemistry in CH2BrI through electronic excitation at 210 nm

    International Nuclear Information System (INIS)

    Butler, L.J.; Hintsa, E.J.; Lee, Y.T.

    1986-01-01

    To explore the possibility of bond selective photochemistry in an excited electronic state, we have studied the photolysis of CH 2 BrI in a molecular beam at 210 nm. Following the direct local excitation of a repulsive transition on the C--Br bond at 210 nm, the fragments were detected by time-of-flight mass spectrometry. The dominant channel was found to be C--Br fission (60%) releasing an average of 15 kcal/mol into translation with the remainder reacting to form CH 2 +IBr and CH 2 +I+Br. There was no evidence for the primary fission of the C--I bond, making this the first clear example of the selective cleavage of a stronger bond in a molecule over the weakest one

  18. Magnetic sublevel population in 1s-2p excitation of helium by fast electrons and protons

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L.; McGuire, J.H. [Department of Physics, Tulane University, New Orleans, LA (United States); Merabet, H.; Bruch, R.; Hanni, J. [Department of Physics, University of Nevada Reno, Reno, NV (United States); Schipakov, V.S. [Troitsk Institute for Innovation and Fusion Research, Troitsk, (Russian Federation)

    2001-07-14

    We report experimental and theoretical results for the magnetic sublevel population of the helium atom in collisions with fast (v{sub i}=3-9 au) electrons and protons. Cross sections for excitation of magnetic sublevels with M=0 and {+-}1 have been obtained using polarization measurements of emitted radiation in combination with differential cross sections. Calculations have been carried out using the expansion of the transition amplitude in the Born series over the projectile-target interaction through the second order. Results of calculations are in agreement with experimental data. We find that the particle-antiparticle Z{sup {+-}} difference exceeds the statistical error of measurement up to collision velocities v{sub i}{approx}6 au for excitation of sublevels with M=0. (author)

  19. Dissociative electron attachment to vibrationally excited H2 molecules involving the 2Σg+ resonant Rydberg electronic state

    International Nuclear Information System (INIS)

    Celiberto, R.; Janev, R.K.; Wadehra, J.M.; Tennyson, J.

    2012-01-01

    Graphical abstract: Dissociative electron attachment cross sections as a function of the incident electron energy and for the initial vibration levels v i = 0–5, 10 of the H 2 molecule. Highlights: ► We calculated electron–hydrogen dissociative attachment cross sections and rates coefficients. ► Collision processes occurring through a resonant Rydberg state are considered. ► Cross sections and rates were obtained for vibrationally excited hydrogen molecules. ► The cross sections exhibit pronounced oscillatory structures. ► A comparison with the process involving the electron–hydrogen resonant ground state is discussed. - Abstract: Dissociative electron attachment cross sections (DEA) on vibrationally excited H 2 molecule taking place via the 2 Σ g + Rydberg-excited resonant state are studied using the local complex potential (LCP) model for resonant collisions. The cross sections are calculated for all initial vibrational levels (v i = 0–14) of the neutral molecule. In contrast to the previously noted dramatic increase in the DEA cross sections with increasing v i , when the process proceeds via the X 2 Σ u + shape resonance of H 2 , for the 2 Σ g + Rydberg resonance the cross sections increase only gradually up to v i = 3 and then decrease. Moreover, the cross sections for v i ⩾ 6 exhibit pronounced oscillatory structures. A discussion of the origin of the observed behavior of calculated cross sections is given. The DEA rate coefficients for all v i levels are also calculated in the 0.5–1000 eV temperature range.

  20. Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

    Science.gov (United States)

    Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

  1. Electron-Impact Excitation of Uracil Luminescence on a Ceramic Surface

    Science.gov (United States)

    Shafranyosh, I. I.; Mitropolskiy, I. E.; Kuzma, V. V.; Svyda, Yu. Yu.; Sukhoviya, M. I.

    2018-03-01

    Photoelectron spectroscopy was applied to pyrimidine nitrogenous bases, an important class of six-membered heterocyclic compounds incorporated into nucleic acids. The emission spectrum of uracil adsorbed on a ceramic surface that was obtained by bombardment with 600-eV electrons in a high vacuum was analyzed. Broad bands with maxima at 335, 435, and 495 nm were observed in the UV and visible regions. The strongest band (λ = 335 nm) was attributed to fluorescence and corresponded to a singlet-singlet transition from the first excited electronic state into the molecular ground state. Electronic transitions from a triplet T1 into the ground state formed a weaker phosphorescence band (λ = 435 nm). The nature of the band maximum at 495 nm is discussed. The obtained luminescence spectrum was compared with photoluminescence spectra in various phases.

  2. Forbidden transitions in excitation by electron impact in Co3+: an R-matrix approach

    International Nuclear Information System (INIS)

    Stancalie, V

    2011-01-01

    Collision strengths for the electron-impact excitation of forbidden transitions between 136 terms arising from 3d 6 , 3d 5 4s and 3d 5 4p configurations of Co 3+ have been calculated using the R-matrix method. The accuracy of a series of models for the target terms was considered, which form the basis for R-matrix collision calculations. The importance of including configuration interaction wave functions both in the target-state expansion and in the (N+1)-electron quadratically integrable function expansion is discussed. Collision strengths were calculated for incident electron energies up to 6 Ryd. These results are believed to be the first such values for this system and will be important for plasma modelling.

  3. Resonance-enhanced electron-impact excitation of Cu-like gold

    Science.gov (United States)

    Xia, L.; Zhang, C. Y.; Si, R.; Guo, X. L.; Chen, Z. B.; Yan, J.; Li, S.; Chen, C. Y.; Wang, K.

    2017-09-01

    Employing the independent-process and isolated-resonance approximations using distorted-waves (IPIRDW), we have performed a series of calculations of the resonance-enhanced electron-impact excitations (EIE) among 27 singly excited levels from the n ≤ 6 configurations of Cu-like gold (Au, Z = 79). Resonance excitation (RE) contributions from both the n = 4 → 4 - 7 and n = 3 → 4 core excitations have been considered. Our results demonstrate that RE contributions are significant and enhance the effective collision strengths (ϒ) of certain excitations by up to an order of magnitude at low temperature (106.1 K), and are still important at relatively high temperature (107.5 K). Results from test calculations of the resonance-enhanced EIE processes among 16 levels from the n ≤ 5 configurations using both the Dirac R-matrix (DRM) and IPIRDW approaches agree very well with each other. This means that the close-coupling effects are not important for this ion, and thus warrants the reliability of present resonance-enhanced EIE data among the 27 levels. The results from the collisional-radiative model (CRM) show that, at 3000 eV, near where Cu-like Au is most abundant, RE contributions have important effects (up to 25%) on the density diagnostic line intensity ratios, which are sensitive near 1020 cm-3. The present work is the first EIE research including RE contributions for Cu-like Au. Our EIE data are more accurate than previous results due to our consideration of RE contributions, and the data should be helpful for modeling and diagnosing a variety of plasmas.

  4. Excitation transfer and trapping kinetics in plant photosystem I probed by two-dimensional electronic spectroscopy.

    Science.gov (United States)

    Akhtar, Parveen; Zhang, Cheng; Liu, Zhengtang; Tan, Howe-Siang; Lambrev, Petar H

    2018-03-01

    Photosystem I is a robust and highly efficient biological solar engine. Its capacity to utilize virtually every absorbed photon's energy in a photochemical reaction generates great interest in the kinetics and mechanisms of excitation energy transfer and charge separation. In this work, we have employed room-temperature coherent two-dimensional electronic spectroscopy and time-resolved fluorescence spectroscopy to follow exciton equilibration and excitation trapping in intact Photosystem I complexes as well as core complexes isolated from Pisum sativum. We performed two-dimensional electronic spectroscopy measurements with low excitation pulse energies to record excited-state kinetics free from singlet-singlet annihilation. Global lifetime analysis resolved energy transfer and trapping lifetimes closely matches the time-correlated single-photon counting data. Exciton energy equilibration in the core antenna occurred on a timescale of 0.5 ps. We further observed spectral equilibration component in the core complex with a 3-4 ps lifetime between the bulk Chl states and a state absorbing at 700 nm. Trapping in the core complex occurred with a 20 ps lifetime, which in the supercomplex split into two lifetimes, 16 ps and 67-75 ps. The experimental data could be modelled with two alternative models resulting in equally good fits-a transfer-to-trap-limited model and a trap-limited model. However, the former model is only possible if the 3-4 ps component is ascribed to equilibration with a "red" core antenna pool absorbing at 700 nm. Conversely, if these low-energy states are identified with the P 700 reaction centre, the transfer-to-trap-model is ruled out in favour of a trap-limited model.

  5. Effect of nonthermal electrons on oblique electrostatic excitations in a magnetized electron-positron-ion plasma

    Energy Technology Data Exchange (ETDEWEB)

    Alinejad, H. [Department of Physics, Faculty of Basic Science, Babol University of Technology, Babol 47148-71167 (Iran, Islamic Republic of)

    2012-05-15

    The linear and nonlinear propagation of ion-acoustic waves are investigated in a magnetized electron-positron-ion (e-p-i) plasma with nonthermal electrons. In the linear regime, the propagation of two possible modes and their evolution are studied via a dispersion relation. In the cases of parallel and perpendicular propagation, it is shown that these two possible modes are always stable. Then, the Korteweg-de Vries equation describing the dynamics of ion-acoustic solitary waves is derived from a weakly nonlinear analysis. The influence on the solitary wave characteristics of relevant physical parameters such as nonthermal electrons, magnetic field, obliqueness, positron concentration, and temperature ratio is examined. It is observed that the increasing nonthermal electrons parameter makes the solitary structures much taller and narrower. Also, it is revealed that the magnetic field strength makes the solitary waves more spiky. The present investigation contributes to the physics of the nonlinear electrostatic ion-acoustic waves in space and laboratory e-p-i plasmas in which wave damping produces an electron tail.

  6. Femtosecond excitations in metallic nanostructures. From ultrafast light confinement to a local electron source

    Energy Technology Data Exchange (ETDEWEB)

    Ropers, C.

    2007-07-11

    This thesis contributes to the understanding of optical excitations in metallic nanostructures. In experiments on selected model structures, the dynamics of these excitations and their electromagnetic spatial modes are investigated with femtosecond temporal and nanometer spatial resolution, respectively. Angle- and time-resolved transmission experiments on metallic thin film gratings demonstrate the dominant role resonant surface plasmon polaritons (SPPs) play in the optical properties of such structures. The lifetimes of these excitations are determined, and it is shown that coherent couplings among SPP-resonances result in drastic lifetime modifications. Near the visible part of the spectrum, subradiant SPP lifetimes of up to 200 femtoseconds are observed, which is considerably longer than previously expected for these structures. The spatial SPP mode profiles are imaged using a custom-built near-field optical microscope. The experiments reveal a direct correlation between the spatial mode structure and the dynamics of different SPP resonances. Coupling-induced SPP band gaps are identified as splittings into symmetric and antisymmetric surface modes. These findings allow for an interpretation of the near-field optical image contrast in terms of the contributions of different vectorial components of the electromagnetic near-field. A selective imaging of different electric and magnetic field components is demonstrated for various types of near-field probes. Furthermore, the excitation of SPPs in periodic structures is employed in a novel type of near-field tip. The resonant excitation of SPPs in a nanofabricated grating on the shaft of a sharp metallic tip results in their concentration at the tip apex. The final part of the thesis highlights the importance of optical field enhancements for the local generation of nonlinear optical signals at the apex of sharp metallic tips. Specifically, the observation of intense multiphoton electron emission after femtosecond

  7. Electronic excitation and deexcitation of atoms and molecules in nonequilibrium plasmas; Hiheiko plasma chu no denshi reiki ryushi hanno katei

    Energy Technology Data Exchange (ETDEWEB)

    Shimamori, H. [Fukui University of Technology, Fukui (Japan)

    1997-05-20

    Regarding excitation and deexcitation due to collision of electrons and deexcitation due to collision of baryons in nonequilibrium plasma, explanation is made about the general characteristics of the elementary processes involving their formation and disappearance and about the prediction of their sectional areas and velocity constants. As for the process of the formation of excited atoms and molecules by collision of electrons, it may be divided into the direct excitation in the ground state, excitation and light emission toward the resonance state, reexcitation and transformation of excited particles, recombination of electrons and positive atomic ions, and dissociation and recombination of electrons and positive molecular ions. As for the process of the disappearance of excited particles, there exist various courses it may follow, and it is quite complicated because it is dependent on the types of particles involved and the conditions the process proceeds under. Although the skeleton has been built of the theory of derivation of the sectional area of excitation due to collision of electrons and atoms/molecules, yet it is accurate enough only when applied to simple atomic/molecular systems, is far from satisfying in general, and is to be augmented by data from future experiments. 22 refs., 3 figs., 1 tab.

  8. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

    2015-01-01

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational

  9. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra pulses

    CSIR Research Space (South Africa)

    de Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...

  10. Transport coefficients in high-temperature ionized air flows with electronic excitation

    Science.gov (United States)

    Istomin, V. A.; Oblapenko, G. P.

    2018-01-01

    Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

  11. Electron impact excitation cross sections and rates from the ground state of atomic calcium

    CERN Document Server

    Samson, A M

    2001-01-01

    New R-matrix calculations are presented for electron excitation of atomic calcium. The target state expansion includes 22 states: 4s sup 2 sup 1 S; 4snl sup 1 sup , sup 3 L, where nl is 3d, 4p, 5s, 5p, 4d and 4f; 3d4p sup 1 sup , sup 3 P,D,F; and 4p sup 2 sup 3 P, sup 1 D, sup 1 S terms. The calculation is in LS coupling, and configuration interaction involving 3p subshell correlation is included. Electron impact excitation cross sections from the 4s sup 2 ground state to the next 10 states are tabulated for low energies, and thermally averaged effective collision strengths are tabulated over a range of electron temperatures from 1000 to 10,000 K. Comparisons are made with previous cross sections calculations for the 4s sup 2 -4s4p sup 3 P deg. transition; excellent agreement is found with experimentally derived rates for 4s sup 2 -4s4p sup 1 P deg

  12. Electron-helium S-wave model benchmark calculations. I. Single ionization and single excitation

    Science.gov (United States)

    Bartlett, Philip L.; Stelbovics, Andris T.

    2010-02-01

    A full four-body implementation of the propagating exterior complex scaling (PECS) method [J. Phys. B 37, L69 (2004)] is developed and applied to the electron-impact of helium in an S-wave model. Time-independent solutions to the Schrödinger equation are found numerically in coordinate space over a wide range of energies and used to evaluate total and differential cross sections for a complete set of three- and four-body processes with benchmark precision. With this model we demonstrate the suitability of the PECS method for the complete solution of the full electron-helium system. Here we detail the theoretical and computational development of the four-body PECS method and present results for three-body channels: single excitation and single ionization. Four-body cross sections are presented in the sequel to this article [Phys. Rev. A 81, 022716 (2010)]. The calculations reveal structure in the total and energy-differential single-ionization cross sections for excited-state targets that is due to interference from autoionization channels and is evident over a wide range of incident electron energies.

  13. Production of excited nitrogen atoms and ions by electron impact on nitrogen molecules

    International Nuclear Information System (INIS)

    Rall, D.L.A.; Anderson, L.W.; Lin, C.C.; Sharpton, F.A.

    1984-01-01

    Emission lines of the N atoms and N ions are produced by electron-beam dissociative excitation of N 2 molecules. The ns→3 /sub p/ (n=5 to 9), np→3s (n=3 to 7), nd→3 /sub p/ (n=4 to 8), nf→3d (n=4,5) transitions of N and the 3 /sub p/ →3s, 3d→3p, 4s→3p, 4p→3d, 4f→3d transitions of N + have been observed and optical emission cross sections at various incident electron energies have been measured. The energy dependence of the cross sections of the N emission lines is similar to that of the N + lines at high incident electron energies, but the low-energy behaviors are quite different. These features are explained by the mechanisms involved in the production of the excited N atoms and N + ions. Absolute optical emission cross sections for the N and N + lines are presented

  14. Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

    Science.gov (United States)

    Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

    2014-05-14

    Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

  15. Electron-impact excitation of atomic-argon 3p54s-3p55p spectral transitions

    International Nuclear Information System (INIS)

    Bogdanova, I.P.; Yurgenson, S.V.

    1990-01-01

    Cross sections of excitation of some spectral lines of argon corresponding to transitions from 3p 5 5p-levels are measured using a pulsed electron beam. Cross sections of level excitation are estimated. It is shown that in transition from 3p 5 4p-levels to 3p 5 5p-levels, the cross section of levels by means of the electron impact decreases 20 times

  16. Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states

    International Nuclear Information System (INIS)

    Closser, Kristina D.; Head-Gordon, Martin; Gessner, Oliver

    2014-01-01

    The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics. The simulations were performed with configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm. 100 different configurations of He 7 were excited into the 2s and 2p manifold for a total of 2800 trajectories. While the most common outcome (90%) was complete fragmentation to 6 ground state atoms and 1 excited state atom, 3% of trajectories yielded bound, He 2 * , and <0.5% yielded an excited helium trimer. The nature of the dynamics, kinetic energy release, and connections to experiments are discussed

  17. On the theory of inelastic scattering of slow electrons by surface excitations: 2. Thin film formalism

    International Nuclear Information System (INIS)

    Nkoma, J.S.

    1982-08-01

    A quantum-mechanical theory for the inelastic scattering of slow electrons (ISSE) by surface excitations in a thin film is developed. The scattered wave function inside the thin film is obtained by solving the inhomogeneous Schroedinger equation, and it is found to contain terms which show that the back scattered intensity is smaller than the forward scattered intensity. A scattering cross-section for forward scattering is derived and is found to be dependent on transmission factors, wavevectors and fluctuations of the scattering potential. (author)

  18. Doubly excited 3Pe resonance states of two-electron positive ions in Debye plasmas

    International Nuclear Information System (INIS)

    Hu, Xiao-Qing; Wang, Yang; Kar, Sabyasachi; Jiang, Zishi; Jiang, Pinghui

    2015-01-01

    We investigate the doubly excited 3 P e resonance states of two-electron positive ions Li + , Be 2+ , B 3+ , and C 4+ by employing correlated exponential wave functions. In the framework of the stabilization method, we calculate two series (3pnp and 3dnd) of 3 P e resonances below the N = 3 threshold. The 3 P e resonance parameters (resonance energies and widths) are reported for the first time as a function of the screening parameter. For free-atomic cases, comparisons are made with the reported results and few resonance states are reported for the first time

  19. Excitation of rare gases in an electron-beam-controlled discharge: report on preliminary experiments

    International Nuclear Information System (INIS)

    Bingham, F.W.

    1976-05-01

    Data from the preliminary phase of a study of rare-gas-excimer production in an electron-beam-controlled discharge are presented. The results indicate that it is possible to maintain an arc-free discharge in preionized Ar and Xe gas for a period of several microseconds at applied external E/p values up to 5 V/cm/Torr. In these experiments ultraviolet radiation emitted during the discharge signaled the presence of excited rare-gas molecules. Application of the external electric field significantly enhanced the ultraviolet intensity from xenon-gas discharges but produced little enhancement from argon-gas discharges

  20. Laser-excited Fluorescence And Electron-spin Resonance Of Er3+ In Polycrystalline Alcl3

    OpenAIRE

    Ceotto G.; Pires M.A.; Sanjurjo J.A.; Rettori C.; Barberis G.E.

    1990-01-01

    The green fluorescence transitions among the levels corresponding to the 4S3/2 and 4I15/2 configurations of Er3+ diluted in AlCl3 have been measured using laser excitation. The data allow us to determine the crystalline-field splittings of these levels and, in turn, the spin-Hamiltonian parameters. The electron-paramagnetic-resonance spectrum observed at low temperatures is in good agreement with that expected from these parameters. © 1990 The American Physical Society.

  1. Quantum mechanical study of elastic scattering and rotational excitation of CO by electrons

    Science.gov (United States)

    Onda, K.; Truhlar, D. G.

    1980-01-01

    Coupling calculations of differential, integral, and momentum transfer cross sections for pure elastic scattering and rotational excitation of CO by electron impact are reported. The calculations are based on a static charge distribution that has correct dipole and quadrupole moments, has cusps at the nuclei, and is augmented by an SCF treatment of charge polarization and a local approximation for exchange. The rotationally summed cross sections, with no adjustable parameters in the scattering calculation, are in reasonably good agreement with the experimental cross sections but are somewhat larger at small scattering angles.

  2. R-matrix calculations for electron impact excitation and their application in astrophysical plasmas

    International Nuclear Information System (INIS)

    Liang, G Y; Badnell, N R; Zhao, G; Del Zanna, G; Mason, H E; Storey, P J

    2012-01-01

    The large number of high-resolution spectra routinely recorded in the astrophysical and fusion communities leads to the need for an extensive set of accurate baseline atomic data. The advantages of the intermediate-coupling frame transformation (ICFT) R-matrix method make it feasible to provide excitation data along iso-electronic sequences (Z ≤ 36) at the high level of accuracy afforded by the R-matrix method. The resultant data helps to overcome the longstanding shortcomings in X-ray and EUV astronomy. This is one of the key goals of the UK Atomic Processes for Astrophysical Plasmas (APAP) network.

  3. Fluorescence excited in a thunderstorm atmosphere by relativistic runaway electron avalanches

    Science.gov (United States)

    Babich, L. P.; Bochkov, E. I.

    2017-05-01

    The spectrum and spatiotemporal evolution of the fluorescence of an atmospheric discharge developing in the regime of relativistic runaway electron avalanche (RREA) generation have been calculated without involving the relativistic feedback. The discharges generating narrow bipolar pulses, along with the discharges responsible for terrestrial gamma-ray flashes, are shown to be relatively dark. Nevertheless, the fluorescence excited by a discharge involving RREAs can be recorded with cameras used to record high-altitude optical phenomena. A possible connection between a certain class of optical phenomena observed at the tops of thunderclouds and RREA emission is pointed out.

  4. Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

    Science.gov (United States)

    Huo, Winifred M.; Liu, Yen; Panesi, Marco; Munafo, Alessandro; Wray, Alan; Carbon, Duane F.

    2015-01-01

    In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

  5. Electronic structure and the mechanism of autoionization for doubly excited states

    International Nuclear Information System (INIS)

    Komninos, Y.; Makri, N.; Nicolaides, C.A.

    1986-01-01

    Apart from pure phenomenology, the rigorous and quantitative study of many-electron autoionizing states presents intriguing questions as regards their structure and dynamics. In this paper we present an analysis of such states within a state specific theory with application to five low-lying doubly excited states (DES) of He. The zeroth order description is multiconfigurational and is obtained numerically at the MCHF level. In this way, major radial and angular correlations are accounted for accurately, and reliable predictions can be made without the requirement of large computations. The additional localized correlation is obtained by optimizing variationally analytic virtual orbitals. (orig./WL)

  6. Thermostimulated luminescence in KBr-In crystals after optical creation of electronic excitation

    International Nuclear Information System (INIS)

    Popov, A.I.

    1990-01-01

    Thermal stability of the radiation defects produced in KBr-In by optical creation of the electronic excitation (optical creation of the excitons or optical ionization of In + -ions under C-band illumination) is investigated by the method of thermostimulated luminescence (TSL). A method of detection of prehistory defects, when the optical ionization of In + -ions and TSL are performed, is proposed. Quadratic dependence of V 2 -center creation upon dose is shown. This dependence confirms assocative mechanism of the creation of V 2 -centers from two interstitial centers

  7. Electron-tunneling observation of localized excited states in superconducting manganese-doped lead

    International Nuclear Information System (INIS)

    Tsang, J.; Ginsberg, D.M.

    1980-01-01

    We have made electron-tunneling measurements on a dilute, superconducting lead-manganese alloy. A well-defined structure was observed in the ac-conductance--voltage curves, indicating excited states within the BCS energy gap. These states were partially accounted for by Shiba theory when spin-dependent s-, p-, and d-wave scattering were included. The phase shifts used in doing that were the results of band calculations. The experimental data also show the existence of a broad background density of states in the energy gap, which cannot be accounted for by the theory

  8. Electronic excitation and ionic dissociation of the vanillin molecule: photoionization with flavor

    International Nuclear Information System (INIS)

    Betancourt, A Moreno; De Souza, G G B; Bernini, R B; Coutinho, L H

    2015-01-01

    The electronic properties of vanillin molecule were investigated by different excitation and ionization techniques. The Ionic fragmentation mechanisms were studied using time-of-flight mass spectrometry as a function of the energy of the incident radiation in the valence energy region and the inner and core levels. It was stablished as a general feature that the ruptures related to the oxygen atoms are predominant at all energies. The resonances and ionization potential of the oxygen 1s was also determined by NEXAFS spectra. (paper)

  9. 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

  10. Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

    Science.gov (United States)

    Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

    2003-03-07

    Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions.

  11. Experimental and theoretical determinations of the absolute ionization cross section of alkali metals by electron impact in the energy range from 100 to 2000 eV

    International Nuclear Information System (INIS)

    Jalin, Rene

    1972-01-01

    The absolute electron impact ionization cross sections for the alkali metals in the energy range between 100 eV and 2000 eV were measured by the non-modulated crossed beam technique. The neutral beam of alkali atoms is produced by a Knudsen cell and crossed at right angles with the electron beam. The ions formed are collected on a plate and their intensity determined with a D.C. amplifier. The neutral beam is condensed on a cold trap cooled with liquid nitrogen, this temperature being much lower than that required to obtain total condensation. The amount of metal deposited is measured by the isotopic dilution technique and by atomic absorption, and the density of the atoms in the neutral beam is calculated. The total absolute ionization cross sections can then be determined. All possible errors have been carefully analyzed and their magnitudes estimated. The absolute ionization cross section for Li at an energy of 500 eV is: Q Li = 0,358 x 10 -16 cm 2 . This value is half of that obtained by Mac Farland and Kinney. The partial ionization cross sections for the singly and multiply charged ions is determined with a mass spectrometer attached to this apparatus. For the singly charged ions, the variation of the cross section with the energy of the ionizing electrons is in agreement with the optically allowed transition law: Q = A log BE/E. From the variation of Q with E, the squared matrix elements of the transition moment (|M i |) 2 are determined for all the elements studied. New calculations of the ionization cross section of Li and Na were performed in the framework of the Born-Bethe approximation as modified by Gaudin and Botter to take into account collisions with large momentum variation of the incident electron. Hartree-Fock type wave functions for the ground state atom (tabulated by Clementi) were used. The calculated values are in good agreement with our experimental results and with the former theoretical results calculated by various methods. This work also

  12. Excitation and deexcitation of N2 molecular levels. Induced fluorescence by electrons and laser

    International Nuclear Information System (INIS)

    Perez Fernandez-Mayoralas, A.

    1989-01-01

    The electron impact excitation followed by fluorescence induced by N 2 -laser absorption was used to study the lifetime of the lowest vibrational level of the B 3 π g electronic state of N 2 . The experimental result of this work is 13 + 1 μs. To measure the lifetime of B 3 π g (v=2,3,5,6,7,8) levels the delayed coincidence method by electron impact was use. The lifetime values were compared with recent experimental and theoretical results. The relative intensi-ties of 3 π g --- A 3 Σ Ω + system bands, in the range (6540-10500 A o ) was measured using a hollow cathode lamp as spectral source. The relative transition moments and its dependence versus the r-centroid was obtained. Total cross sections for electron scattering by N molecules in the range 600 - 5000 eV have been obtained from measurements of the attenuation of a linear electron beam. The results have been compared with available experimental cross sections and with theoretical calculations based on the first Born approximation. (Author)

  13. Investigation of the surface current excitation by a relativistic electron electromagnetic field

    International Nuclear Information System (INIS)

    Naumenko, G; Shevelev, M; Potylitsyn, A; Popov, Yu; Sukhikh, L

    2010-01-01

    Surface current method and pseudo-photon ones are widely used in the problems of diffraction and transition radiation of relativistic electron in conductive targets. The simple analysis disclosed the contradiction between these methods in respect to the surface current excitation on target surfaces. This contradiction was resolved experimentally by the measurement of a surface current on the upstream and downstream target surfaces in diffraction radiation geometry. The experimental test showed, that no surface current is induced on the target downstream surface under the influence of a relativistic electron electromagnetic field in contrast to the upstream surface. This is important for the understanding of a forward transition and diffraction radiation nature and electromagnetic field evolution in interaction processes.

  14. Electron-tunneling observation of local excited states in manganese-doped indium

    International Nuclear Information System (INIS)

    Tsang, J.; Ginsberg, D.M.

    1980-01-01

    We have measured the electron-tunneling characteristics of a dilute indium-manganese alloy. Well-defined structure was observed, corresponding to a band of local excited states within the energy gap. The measurements were made on two samples, and were quantitatively compared with the theory of Shiba and of Rusinov. We obtained good agreement of the tunneling data with the theory by taking into account only s-wave scattering of conduction electrons from the magnetic-impurity atoms. Even better agreement was obtained by including p- and d-wave scattering. Only by including these higher partial waves could we account for the magnitude of the observed depression of the transition temperature. The phase shifts used are in good agreement with band-theory values calculated recently

  15. Electron excitation cross sections of the 2p53s levels of neon

    International Nuclear Information System (INIS)

    Phillips, M.H.

    1982-01-01

    The electron excitation cross sections of the four 2p 5 3s levels of neon are measured by means of a new technique using laser induced fluorescenc. The values of both the apparent and direct excitatiuon cross sections are given as a function of incident electron energy (0-100eV for 1s 3 and 1s 5 metastable levels and 0-300 eV for the 1s 2 and 1s 4 resonance levels). The metastable levels are triplet states and their cross sections are sharply peaked. At the peak, 30 eV, the measured values of the cross sections are 0.59 x 10 -18 cm 2 for the 1s 3 level and 3.2 x 10 -18 cm 2 for the 1s 5 level. The 1s 2 and 1s 4 levels are mixtures of singlet and triplet states, and the cross sections are broad and peak at 60 eV. The apparent cross sections at 60 eV are 13.5 x 10 -18 cm 2 for the 1s 2 level and 2.9 x 10 -18 cm 2 for the 1s 4 level. Measurement of the atomic number density of each of the 1s levels is performed using the pulsed laser induced fluorescence. The measured values of the number density and the excitation cross section are used to obtain the lifetime of each level. The measured value of the reciprocal of the 1s 3 and 1s 5 lifetime is 1 x 10 5 s -1 . The 1s 2 and 1s 4 levels are radiation trapped, and the reciprocals of their lifetimes are 4 x 10 5 s -1 and 3 x 10 5 s -1 respectively. The electron excitation cross sections of the magnetic sublevels of each 1s level are obtained by measuring the polarization of the laser induced fluorescence as a function of laser polarization. The excitation cross sections of each of the magnetic sublevels within a particular 1s level are equal within experimental uncertainty

  16. Ab initio calculations of dissociative excitation of water and methane molecules upon electron impact at low energies

    International Nuclear Information System (INIS)

    Gil, T.J.; McCurdy, C.W.; Rescigno, T.N.; Lengsfield, B.H. III

    1994-01-01

    The authors are reporting results of ab-initio calculations of electron-impact excitation of water and methane occurring at scattering energies up to 60 eV. The authors consider dissociative excited states of both systems since the understanding of their chemistry has considerable importance in plasma technology and atmospheric research. In the case of methane the authors are dealing with the promotion of a valence electron into Rydberg orbitals, while in water the excited states have one electron in an antibonding unoccupied valence orbital and support Feshbach resonances. The authors discuss issues related to convergence of the close-coupling expansion in the case of Rydberg excitation, where the authors have coupled up to 16 channels. The practical realization of the calculation within the framework of the complex Kohn variational principle represents merging of quantum chemistry and quantum scattering theory and is also discussed

  17. The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tully, John C. [Yale Univ., New Haven, CT (United States)

    2017-06-10

    Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opens up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.

  18. Imaging Magnetic Vortices Dynamics Using Lorentz Electron Microscopy with GHz Excitations

    Science.gov (United States)

    Zhu, Yimei

    2015-03-01

    Magnetic vortices in thin films are naturally formed spiral spin configurations with a core polarization pointing out of the film plane. They typically represent ground states with high structural and thermal stability as well as four different chirality-polarity combinations, offering great promise in the development of spin-based devices. For applications to spin oscillators, non-volatile memory and logic devices, the fundamental understanding and precise control of vortex excitations and dynamic switching behavior are essential. The compact dimensionality and fast spin dynamics set grand challenges for direct imaging technologies. Recently, we have developed a unique method to directly visualize the dynamic magnetic vortex motion using advanced Lorentz electron microscopy combined with GHz electronic excitations. It enables us to map the orbit of a magnetic vortex core in a permalloy square with modality. Our approach is complementary to X-ray magnetic circular dichroism and is of general interest to the magnetism community as it paves a way to study fundamental spin phenomena with unprecedented resolution and accuracy. Collaborations with S.D. Pollard, J.F. Pulecio, D.A. Arena and K.S. Buchanan are acknowledged. Work supported by DOE-BES, Material Sciences and Engineering Division, under Contract No. DE-AC02-98CH10886.

  19. Excited-state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

    Science.gov (United States)

    Lawless, Mary K.; Mathies, Richard A.

    1992-06-01

    Absolute resonance Raman cross sections are measured for Nile blue 690 perchlorate dissolved in ethylene glycol with excitation at 514, 531, and 568 nm. These values and the absorption spectrum are modeled using a time-dependent wave packet formalism. The excited-state equilibrium geometry changes are quantitated for 40 resonance Raman active modes, seven of which (590, 1141, 1351, 1429, 1492, 1544, and 1640 cm-1 ) carry 70% of the total resonance Raman intensity. This demonstrates that in addition to the prominent 590 and 1640 cm-1 modes, a large number of vibrational degrees of freedom are Franck-Condon coupled to the electronic transition. After exposure of the explicit vibrational progressions, the residual absorption linewidth is separated into its homogeneous [350 cm-1 half-width at half-maximum (HWHM)] and inhomogeneous (313 cm-1 HWHM) components through an analysis of the absolute Raman cross sections. The value of the electronic dephasing time derived from this study (25 fs) compares well to previously published results. These data should be valuable in multimode modeling of femtosecond experiments on Nile blue.

  20. Investigations of the valence-shell excitations of molecular ethane by high-energy electron scattering

    Science.gov (United States)

    Xu, Wei-Qing; Xu, Long-Quan; Qi, De-Guang; Chen, Tao; Liu, Ya-Wei; Zhu, Lin-Fan

    2018-04-01

    The differential cross sections and generalized oscillator strengths for the low-lying excitations of the valence-shell 1eg orbital electron in ethane have been measured for the first time at a high incident electron energy of 1500 eV and a scattering angular range of 1.5°-10°. A weak feature, termed X here, with a band center of about 7.5 eV has been observed, which was also announced by the previous experimental and theoretical studies. The dynamic behaviors of the generalized oscillator strengths for the 3s (8.7 eV), 3s+3p (9.31 eV, 9.41 eV), and X (˜7.5 eV) transitions on the momentum transfer squared have been obtained. The integral cross sections of these transitions from their thresholds to 5000 eV have been obtained with the aid of the BE-scaling (B is the binding energy and E is the excitation energy) method. The optical oscillator strengths of the above transitions determined by extrapolating their generalized oscillator strengths to the limit of the squared momentum transfer K2 → 0 are in good agreement with the ones from the photoabsorption spectrum [J. W. Au et al., Chem. Phys. 173, 209 (1993)], which indicates that the present differential cross sections, generalized oscillator strengths, and integral cross sections can serve as benchmark data.

  1. Electron Impact Excitation and Dielectronic Recombination of Highly Charged Tungsten Ions

    Directory of Open Access Journals (Sweden)

    Zhongwen Wu

    2015-11-01

    Full Text Available Electron impact excitation (EIE and dielectronic recombination (DR of tungsten ions are basic atomic processes in nuclear fusion plasmas of the International Thermonuclear Experimental Reactor (ITER tokamak. Detailed investigation of such processes is essential for modeling and diagnosing future fusion experiments performed on the ITER. In the present work, we studied total and partial electron-impact excitation (EIE and DR cross-sections of highly charged tungsten ions by using the multiconfiguration Dirac–Fock method. The degrees of linear polarization of the subsequent X-ray emissions from unequally-populated magnetic sub-levels of these ions were estimated. It is found that the degrees of linear polarization of the same transition lines, but populated respectively by the EIE and DR processes, are very different, which makes diagnosis of the formation mechanism of X-ray emissions possible. In addition, with the help of the flexible atomic code on the basis of the relativistic configuration interaction method, DR rate coefficients of highly charged W37+ to W46+ ions are also studied, because of the importance in the ionization equilibrium of tungsten plasmas under running conditions of the ITER.

  2. Milk-alkali syndrome

    Science.gov (United States)

    Calcium-alkali syndrome; Cope syndrome; Burnett syndrome; Hypercalcemia; Calcium metabolism disorder ... Milk-alkali syndrome is almost always caused by taking too many calcium supplements, usually in the form of calcium carbonate. Calcium ...

  3. Electronic transport properties

    International Nuclear Information System (INIS)

    Young, W.H.

    1985-01-01

    The theory of the electron transport properties of liquid alkali metals is described. Conductivity coefficients, Boltzmann theory, Ziman theory, alkali form factors, Ziman theory and alkalis, Faber-Ziman alloy theory, Faber-Ziman theory and alkali-alkali methods, status of Ziman theory, and other transport properties, are all discussed. (UK)

  4. Bimolecular Excited-State Electron Transfer with Surprisingly Long-Lived Radical Ions

    KAUST Repository

    Alsam, Amani Abdu

    2015-09-02

    We explored the excited-state interactions of bimolecular, non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and 1,4-dicyanobenzene (DCB) using steady-state and time-resolved techniques, including femto- and nanosecond transient absorption and femtosecond infrared spectroscopies with broadband capabilities. The experimental results demonstrated that photo-induced electron transfer from PFN to DCB occurs on the picosecond time scale, leading to the formation of PFN+• and DCB-• radical ions. Interestingly, real-time observations of the vibrational marker modes on the acceptor side provided direct evidence and insight into the electron transfer process indirectly inferred from UV-Vis experiments. The band narrowing on the picosecond time scale observed on the antisymmetric C-N stretching vibration of the DCB radical anion provides clear experimental evidence that a substantial part of the excess energy is channeled into vibrational modes of the electron transfer product and that the geminate ion pairs dissociate. More importantly, our nanosecond time-resolved data indicate that the charge-separated state is very long lived ( 30 ns) due to the dissociation of the contact radical ion pair into free ions. Finally, the fast electron transfer and slow charge recombination anticipate the current donor−acceptor system with potential applications in organic solar cells.

  5. Resonance effects in projectile-electron loss in relativistic collisions with excited atoms

    International Nuclear Information System (INIS)

    Voitkiv, A B

    2005-01-01

    The theory of electron loss from projectile-ions in relativistic ion-atom collisions is extended to the case of collisions with excited atoms. The main feature of such collisions is a resonance which can emerge between electron transitions in the ion and atom. The resonance becomes possible due to the Doppler effect and has a well-defined impact energy threshold. In the resonance case, the ion-atom interaction is transmitted by the radiation field and the range of this interaction becomes extremely long. Because of this the presence of other atoms in the target medium and the size of the space occupied by the medium have to be taken into account and it turns out that microscopic loss cross sections may be strongly dependent on such macroscopic parameters as the target density, temperature and size. We consider both the total and differential loss cross sections and show that the resonance can have a strong impact on the angular and energy distributions of electrons emitted from the projectiles and the total number of electron loss events

  6. Microstructure of Nitrided Aluminum Alloys Using an Electron-Beam-Excited-Plasma (EBEP)

    Institute of Scientific and Technical Information of China (English)

    L. Liu; A. Yamamoto; T. Hishida; H. Shoyama; T. Hara; T. Hara

    2004-01-01

    Nitriding of surface of aluminum alloys was carried out with using an electron-beam-excited-plasma (EBEP)technique. The EBEP is sustained by electron impact ionization with energetic electron beam. Two kinds of substrates,aluminum alloys AA5052 and AA5083, were exposed to the down flow of EBEP source at 843 K for 45min. The specimens were characterized with respect to following properties: crystallographic structure (XRD), morphology (SEM) and the cross sectional microstructures of the nitrided layer was observed using a scanning electron microscopy (SEM). There are some Al2O3 particles on the surface of the nitrided AA5052 and AA5083. The AIN layers were formed on the substrates with the thickness of 4.5 μ m for AA5052 and 0.5 μ m for AA5083. A relatively uniform nitrided surface layer composed of AIN can be observed on the AA5052 substrate. The grains size near the interfaces between the substrate and AIN layer were smaller than that near the surface. On the surface of AIN layer, the concentration of nitrogen was high and in the middle of AIN layer it had a constant concentration like the aluminum and the concentration was decreased with approaching to the interface. On the surface of nitrided AA5083, a uniform AIN layer was not formed as the reason for the high nitriding temperature.

  7. Bimolecular Excited-State Electron Transfer with Surprisingly Long-Lived Radical Ions

    KAUST Repository

    Alsam, Amani Abdu; Aly, Shawkat Mohammede; Usman, Anwar; Parida, Manas R.; Del Gobbo, Silvano; Alarousu, Erkki; Mohammed, Omar F.

    2015-01-01

    We explored the excited-state interactions of bimolecular, non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and 1,4-dicyanobenzene (DCB) using steady-state and time-resolved techniques, including femto- and nanosecond transient absorption and femtosecond infrared spectroscopies with broadband capabilities. The experimental results demonstrated that photo-induced electron transfer from PFN to DCB occurs on the picosecond time scale, leading to the formation of PFN+• and DCB-• radical ions. Interestingly, real-time observations of the vibrational marker modes on the acceptor side provided direct evidence and insight into the electron transfer process indirectly inferred from UV-Vis experiments. The band narrowing on the picosecond time scale observed on the antisymmetric C-N stretching vibration of the DCB radical anion provides clear experimental evidence that a substantial part of the excess energy is channeled into vibrational modes of the electron transfer product and that the geminate ion pairs dissociate. More importantly, our nanosecond time-resolved data indicate that the charge-separated state is very long lived ( 30 ns) due to the dissociation of the contact radical ion pair into free ions. Finally, the fast electron transfer and slow charge recombination anticipate the current donor−acceptor system with potential applications in organic solar cells.

  8. In which metals are high electronic excitations able to create damage?

    International Nuclear Information System (INIS)

    Legrand, P.; Dunlop, A.; Lesueur, D.; Lorenzelli, N.; Morillo, J.; Bouffard, S.

    1992-01-01

    Since a few years a certain number of results have shown that high energy deposition through electronic excitation can lead to damage creation in metallic targets. In order to test which is the right parameter favouring damage creation (high d-electrons density favouring electron-phonon coupling, various electrical conductivities, existence of different displacive phase transformations . . .) chosen metallic targets (Zr, Co, Ti, Ag, Pd, Pt, W, Ni) were irradiated on the french accelerator GANIL in Caen, at cryogenic temperatures with GeV-ions (Pb, O). In situ electrical resistance variation measurements at low temperature were achieved, followed by isochronal annealing of defects and post-X-ray observations at room temperature. This study shows that a very strong enhancement of the damage production occurs only in Zr, Ti and Co which present different allotropic phases and in particular a displacive transformation associated with soft modes in the phonon spectrum. The structure of stage I recovery of all the samples depends on the electronic stopping power

  9. Electron current extraction from radio frequency excited micro-dielectric barrier discharges

    International Nuclear Information System (INIS)

    Wang, Jun-Chieh; Kushner, Mark J.; Leoni, Napoleon; Birecki, Henryk; Gila, Omer

    2013-01-01

    Micro dielectric barrier discharges (mDBDs) consist of micro-plasma devices (10–100 μm diameter) in which the electrodes are fully or partially covered by dielectrics, and often operate at atmospheric pressure driven with radio frequency (rf) waveforms. In certain applications, it may be desirable to extract electron current out of the mDBD plasma, which necessitates a third electrode. As a result, the physical structure of the m-DBD and the electron emitting properties of its materials are important to its operation. In this paper, results from a two-dimensional computer simulation of current extraction from mDBDs sustained in atmospheric pressure N 2 will be discussed. The mDBDs are sandwich structures with an opening of tens-of-microns excited with rf voltage waveforms of up to 25 MHz. Following avalanche by electron impact ionization in the mDBD cavity, the plasma can be expelled from the cavity towards the extraction electrode during the part of the rf cycle when the extraction electrode appears anodic. The electron current extraction can be enhanced by biasing this electrode. The charge collection can be controlled by choice of rf frequency, rf driving voltage, and permittivity of the dielectric barrier.

  10. Measurement and calculation of excitation cross sections and level ionization by electron impact

    International Nuclear Information System (INIS)

    Blanco Rames, F.

    1990-01-01

    The experimental and theoretical study of the atomic structure in neutral noble gases is studied in this work. It mainly deals with the determination of total cross sections by electron impact and transition probabilities, including: Chapter 1: Theoretical introduction and the intermediate coupling description obtained for 420 levels of s, p and d configurations in neutral noble gases. Chapter 2: Experimental and theoretical values for electron collision cross sections are obtained for several levels of He, Ne, Ar and Kr. Our results as well as those available from existing bibliography are sumarized and compared. By means of an intermediate coupling treatment a number of regularities is found that provides us with some useful approximate semi empirical expressions. Chapter 3: Determination of lifetime and transition probabilities. Lifetime measurements are carried out by means of laser excitation and multichannel delayed coincidences technique. The experimental setup and electronics are also described. Chapter 4: Details the experimental setup developed for electron cross sections measurement by the optical method. The difficulties of this method and their treatment are also shown. (Author)

  11. Angle-resolving time-of-flight electron spectrometer for near-threshold precision measurements of differential cross sections of electron-impact excitation of atoms and molecules

    International Nuclear Information System (INIS)

    Lange, M.; Matsumoto, J.; Setiawan, A.; Panajotovic, R.; Harrison, J.; Lower, J. C. A.; Newman, D. S.; Mondal, S.; Buckman, S. J.

    2008-01-01

    This article presents a new type of low-energy crossed-beam electron spectrometer for measuring angular differential cross sections of electron-impact excitation of atomic and molecular targets. Designed for investigations at energies close to excitation thresholds, the spectrometer combines a pulsed electron beam with the time-of-flight technique to distinguish between scattering channels. A large-area, position-sensitive detector is used to offset the low average scattering rate resulting from the pulsing duty cycle, without sacrificing angular resolution. A total energy resolution better than 150 meV (full width at half maximum) at scattered energies of 0.5-3 eV is achieved by monochromating the electron beam prior to pulsing it. The results of a precision measurement of the differential cross section for electron-impact excitation of helium, at an energy of 22 eV, are used to assess the sensitivity and resolution of the spectrometer

  12. Fractional and hidden magnetic excitations in f-electron metal Yb2Pt2Pb

    Science.gov (United States)

    Zaliznyak, Igor

    Quantum states with fractionalized excitations such as spinons in one-dimensional chains are commonly viewed as belonging to the domain of S=1/2 spin systems. However, recent experiments on the quantum antiferromagnet Yb2Pt2Pb, part of a large family of R2T2X (R=rare earth, T=transition metal, X=main group) materials spectacularly disqualify this opinion. The results show that spinons can also emerge in an f-electron system with strong spin-orbit coupling, where magnetism is mainly associated with large and anisotropic orbital moment. Here, the competition of several high-energy interactions Coulomb repulsion, spin-orbit coupling, crystal field, and the peculiar crystal structure, which combines low dimensionality and geometrical frustration, lead to the emergence, at low energy, of an effective spin-1/2, purely quantum Hamiltonian. Consequently, it produces unusual spin-liquid states and fractional excitations enabled by the inherently quantum mechanical nature of the moments. The emergent quantum spins bear the unique birthmark of their unusual origin in that they only lead to measurable longitudinal magnetic fluctuations, while the transverse excitations such as spin waves remain invisible to scattering experiments. Similarlyhidden would be transverse magnetic ordering, although it would have visible excitations. The rich magnetic phase diagram of Yb2Pt2Pb is suggestive of the existence of hidden-order phases, while the recent experiments indeed reveal the dark magnon, a hidden excitation in the saturated ferromagnetic (FM) phase of Yb2Pt2Pb. Unlike copper-based spin-1/2 chains, where the magnon in the FM state accounts for the full spectral weight of the zero-field spinon continuum, in the spin-orbital chains in Yb2Pt2Pb it is 100 times, or more weaker. It thus presents an example of dark magnon matter\\x9D, whose Hamiltonian is that of the effective spin-1/2 chain, but whose coupling to magnetic field, the physical probe at our disposal, is vanishingly small

  13. Relaxation and excitation electronic processes in dielectrics irradiated by ultrafast IR and VUV pulses; Processus electroniques d'excitation et de relaxation dans les solides dielectriques excites par des impulsions IR et XUV ultracourtes

    Energy Technology Data Exchange (ETDEWEB)

    Gaudin, J

    2005-11-15

    We studied excitation and relaxation of electrons involved during interaction of visible and VUV femtosecond pulses with dielectrics. The generated population of hot electrons, having energy of few eV to few tens of eV above the bottom of the conduction band, is responsible of phenomena ranging to defect creation to optical breakdown. Owing to two techniques: photoemission and transient photoconductivity we improve the understanding of the The first photoemission experiments deal with dielectrics irradiated by 30 fs IR pulses. The photoemission spectra measured show a large population of electrons which energy rise up to 40 eV. We interpret this result in terms of a new absorption process: direct multi-photons inter-branch transitions. The 2. type of photoemission experiments are time resolved 'pump/probe' investigation. We study the relaxation of electrons excited by a VUV pulses. We used the high order harmonics (HOH) as light sources. We found surprisingly long decay time in the range of ps timescale. Last type of experiments is photoconductivity studies of diamond samples. Using HOH as light source we measure the displacement current induced by excited electrons in the conduction band. Those electrons relax mainly by impact ionisation creating secondary electrons. Hence by probing the number of electrons we were able to measure the efficiency of these relaxation processes. We observe a diminution of this efficiency when the energy of exciting photons is above 20 eV. Owing to Monte-Carlo simulation we interpret this result in terms of band structure effect. (author)

  14. A new pathway for transmembrane electron transfer in photosynthetic reaction centers of Rhodobacter sphaeroides not involving the excited special pair.

    NARCIS (Netherlands)

    van Brederode, M.E.; Jones, M.R.; van Mourik, F.; van Stokkum, I.H.M.; van Grondelle, R.

    1997-01-01

    It is generally accepted that electron transfer in bacterial photosynthesis is driven by the first singlet excited state of a special pair of bacteriochlorophylls (P*). We have examined the first steps of electron transfer in a mutant of the Rhodobacter sphaeroides reaction center in which charge

  15. A new pathway for transmembrane electron transfer in photosyntetic reaction centers of Rhodobacter sphaeroides not involving the excited special pair.

    NARCIS (Netherlands)

    van Brederode, M.E.; Jones, M.R.; van Mourik, F.; van Stokkum, I.H.M.; van Grondelle, R.

    1997-01-01

    It is generally accepted that electron transfer in bacterial photosynthesis is driven by the first singlet excited state of a special pair of bacteriochlorophylls (P*). We have examined the first steps of electron transfer in a mutant of the Rhodobacter sphaeroides reaction center in which charge

  16. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Energy Technology Data Exchange (ETDEWEB)

    Floris, Franca Maria, E-mail: floris@dcci.unipi.it; Amovilli, Claudio [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy); Filippi, Claudia [MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2014-01-21

    We investigate here the vertical n → π{sup *} and π → π{sup *} transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π{sup *} case and also improve considerably the shift for the π → π{sup *} transition.

  17. Excitation of Ion Cyclotron Waves by Ion and Electron Beams in Compensated-current System

    Science.gov (United States)

    Xiang, L.; Wu, D. J.; Chen, L.

    2018-04-01

    Ion cyclotron waves (ICWs) can play important roles in the energization of plasma particles. Charged particle beams are ubiquitous in space, and astrophysical plasmas and can effectively lead to the generation of ICWs. Based on linear kinetic theory, we consider the excitation of ICWs by ion and electron beams in a compensated-current system. We also investigate the competition between reactive and kinetic instabilities. The results show that ion and electron beams both are capable of generating ICWs. For ICWs driven by ion beams, there is a critical beam velocity, v bi c , and critical wavenumber, k z c , for a fixed beam density; the reactive instability dominates the growth of ICWs when the ion-beam velocity {v}{bi}> {v}{bi}c and the wavenumber {k}zz≃ 2{k}zc/3 for a given {v}{bi}> {v}{bi}c. For the slow ion beams with {v}{bi}< {v}{bi}c, the kinetic instability can provide important growth rates of ICWs. On the other hand, ICWs driven by electron beams are excited only by the reactive instability, but require a critical velocity, {v}{be}c\\gg {v}{{A}} (the Alfvén velocity). In addition, the comparison between the approximate analytical results based on the kinetic theory and the exact numerical calculation based on the fluid model demonstrates that the reactive instabilities can well agree quantitatively with the numerical results by the fluid model. Finally, some possible applications of the present results to ICWs observed in the solar wind are briefly discussed.

  18. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    International Nuclear Information System (INIS)

    Floris, Franca Maria; Amovilli, Claudio; Filippi, Claudia

    2014-01-01

    We investigate here the vertical n → π * and π → π * transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π * case and also improve considerably the shift for the π → π * transition

  19. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Science.gov (United States)

    Floris, Franca Maria; Filippi, Claudia; Amovilli, Claudio

    2014-01-01

    We investigate here the vertical n → π* and π → π* transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π* case and also improve considerably the shift for the π → π* transition.

  20. Absolute cross sections for the ionization-excitation of helium by electron impact

    Science.gov (United States)

    Bellm, S.; Lower, J.; Weigold, E.; Bray, I.; Fursa, D. V.; Bartschat, K.; Harris, A. L.; Madison, D. H.

    2008-09-01

    In a recent publication we presented detailed experimental and theoretical results for the electron-impact-induced ionization of ground-state helium atoms. The purpose of that work was to refine theoretical approaches and provide further insight into the Coulomb four-body problem. Cross section ratios were presented for transitions leading to excited states, relative to those leading to the ground state, of the helium ion. We now build on that study by presenting individual relative triple-differential ionization cross sections (TDCSs) for an additional body of experimental data measured at lower values of scattered-electron energies. This has been facilitated through the development of new electron-gun optics which enables us to accurately characterize the spectrometer transmission at low energies. The experimental results are compared to calculations resulting from a number of different approaches. For ionization leading to He+(1s2)1S , cross sections are calculated by the highly accurate convergent close-coupling (CCC) method. The CCC data are used to place the relative experimental data on to an absolute scale. TDCSs describing transitions to the excited states are calculated through three different approaches, namely, through a hybrid distorted- wave+R -matrix (close-coupling) model, through the recently developed four-body distorted-wave model, and by a first Born approximation calculation. Comparison of the first- and second-order theories with experiment allows for the accuracy of the different theoretical approaches to be assessed and gives insight into which physical aspects of the problem are most important to accurately model.

  1. Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

    Science.gov (United States)

    Amerikheirabadi, Fatemeh

    Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

  2. Electronic excitation to low-lying states of GeF4 molecule by electron impact: A comparative study with CF4 and SiF4 molecules

    International Nuclear Information System (INIS)

    Ohtomi, S; Matsui, M; Mochizuki, Y; Suga, A; Kato, H; Hoshino, M; Tanaka, H; Duflot, D; Limão-Vieira, P

    2015-01-01

    We report on the measurements of the electron impact electronic excitation cross sections for XF 4 (X = C, Si and Ge) molecules at 100 eV, 5° scattering angle and 30 eV, 30° in the electron energy loss range 8.0 - 18 eV. For a target of GeF 4 molecule, the optically-forbidden behavior has been observed in the lower electron energy loss range. (paper)

  3. New Theoretical Developments in Exploring Electronically Excited States: Including Localized Configuration Interaction Singles and Application to Large Helium Clusters

    Science.gov (United States)

    Closser, Kristina Danielle

    This thesis presents new developments in excited state electronic structure theory. Contrasted with the ground state, the electronically excited states of atoms and molecules often are unstable and have short lifetimes, exhibit a greater diversity of character and are generally less well understood. The very unusual excited states of helium clusters motivated much of this work. These clusters consist of large numbers of atoms (experimentally 103--109 atoms) and bands of nearly degenerate excited states. For an isolated atom the lowest energy excitation energies are from 1s → 2s and 1s → 2 p transitions, and in clusters describing the lowest energy band minimally requires four states per atom. In the ground state the clusters are weakly bound by van der Waals interactions, however in the excited state they can form well-defined covalent bonds. The computational cost of quantum chemical calculations rapidly becomes prohibitive as the size of the systems increase. Standard excited-state methods such as configuration interaction singles (CIS) and time-dependent density functional theory (TD-DFT) can be used with ≈100 atoms, and are optimized to treat only a few states. Thus, one of our primary aims is to develop a method which can treat these large systems with large numbers of nearly degenerate excited states. Additionally, excited states are generally formed far from their equilibrium structures. Vertical excitations from the ground state induce dynamics in the excited states. Thus, another focus of this work is to explore the results of these forces and the fate of the excited states. Very little was known about helium cluster excited states when this work began, thus we first investigated the excitations in small helium clusters consisting of 7 or 25 atoms using CIS. The character of these excited states was determined using attachment/detachment density analysis and we found that in the n = 2 manifold the excitations could generally be interpreted as

  4. Development and implementation of theoretical methods for the description of electronically core-excited states

    Energy Technology Data Exchange (ETDEWEB)

    Wenzel, Jan

    2016-03-23

    -cc-series, a mean error of -0.23% ±0.12% for core-excitation energies can be identified at the CVS-ADC(2)-x level for carbon, nitrogen and oxygen K-edge excitations, whereas CVS-ADC(3) exhibits errors of 0.61% ± 0.32%. This is due to fortuitous error compensation of basis set truncation, electron correlation, orbital relaxation and neglect of relativistic effects at the CVS-ADC(2)-x level. Transition moments and spectral features, as well as static dipole moments, are excellently described with both CVS-ADC(2)-x and CVS-ADC(3). Especially the 6-311++G** basis set provides an excellent ratio of accuracy to computational time. Another important topic is the description of orbital relaxation effects. In the scope of this thesis, I show, how these effects are included indirectly within the CVS-ADC approaches. For this purpose, two different descriptors are used, i.e. electron promotion numbers and the amount of doubly excited amplitudes. Furthermore, with the help of detachment/attachment (D/A) densities, which can be constructed via the CVS-ISR approach, relaxation effects can be visualized. For this purpose, the (D/A) densities are compared with hole/electron (h/e) densities based on the transition density matrix. With this knowledge, the X-ray absorption spectra of medium-sized molecules and radicals from the fields of organic electronics and biology are investigated and analyzed. On the basis of these studies, the restricted and unrestricted versions of CVS-ADC(2)-x in combination with the 6-311++G** basis set exhibit mean errors of core-excitation energies around 0.1%, compared to experimental values. Additionally, core-excited state characters are analyzed with the help of state densities obtained via the CVS-ISR approach or the transition density matrix. To demonstrate the computational savings as a function of the size of the core space, several systems are investigated. CVS-ADC(3) calculations take about 8-10 times longer than CVS-ADC(2)-x calculations and since the

  5. Nonlinear excitation of electron cyclotron waves by a monochromatic strong microwave: computer simulation analysis of the MINIX results

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, H.; Kimura, T.

    1986-01-01

    Triggered by the experimental results of the MINIX, a computer simulation study was initiated on the nonlinear excitation of electrostatic electron cyclotron waves by a monochromatic electromagnetic wave such as the transmitted microwave in the MINIX. The model used assumes that both of the excited waves and exciting (pumping) electromagnetic wave as well as the idler electromagnetic wave propagate in the direction perpendicular to the external magnetic field. The simulation code used for this study was the one-and-two-half dimensional electromagnetic particle code named KEMPO. The simulation result shows the high power electromagnetic wave produces both the backscattered electromagnetic wave and electrostatic electron cyclotron waves as a result of nonlinear parametric instability. Detailed nonlinear microphysics related to the wave excitation is discussed in terms of the nonlinear wave-wave couplings and associated ponderomotive force produced by the high power electromagnetic waves. 2 references, 4 figures.

  6. Nonlinear excitation of electron cyclotron waves by a monochromatic strong microwave: computer simulation analysis of the MINIX results

    International Nuclear Information System (INIS)

    Matsumoto, H.; Kimura, T.

    1986-01-01

    Triggered by the experimental results of the MINIX, a computer simulation study was initiated on the nonlinear excitation of electrostatic electron cyclotron waves by a monochromatic electromagnetic wave such as the transmitted microwave in the MINIX. The model used assumes that both of the excited waves and exciting (pumping) electromagnetic wave as well as the idler electromagnetic wave propagate in the direction perpendicular to the external magnetic field. The simulation code used for this study was the one-and-two-half dimensional electromagnetic particle code named KEMPO. The simulation result shows the high power electromagnetic wave produces both the backscattered electromagnetic wave and electrostatic electron cyclotron waves as a result of nonlinear parametric instability. Detailed nonlinear microphysics related to the wave excitation is discussed in terms of the nonlinear wave-wave couplings and associated ponderomotive force produced by the high power electromagnetic waves. 2 references, 4 figures

  7. Alkali Rydberg states in electromagnetic fields: computational physics meets experiment

    International Nuclear Information System (INIS)

    Krug, A.

    2001-11-01

    We study highly excited hydrogen and alkali atoms ('Rydberg states') under the influence of a strong microwave field. As the external frequency is comparable to the highly excited electron's classical Kepler frequency, the external field induces a strong coupling of many different quantum mechanical energy levels and finally leads to the ionization of the outer electron. While periodically driven atomic hydrogen can be seen as a paradigm of quantum chaotic motion in an open (decaying) quantum system, the presence of the non-hydrogenic atomic core - which unavoidably has to be treated quantum mechanically - entails some complications. Indeed, laboratory experiments show clear differences in the ionization dynamics of microwave driven hydrogen and non-hydrogenic Rydberg states. In the first part of this thesis, a machinery is developed that allows for numerical experiments on alkali and hydrogen atoms under precisely identical laboratory conditions. Due to the high density of states in the parameter regime typically explored in laboratory experiments, such simulations are only possible with the most advanced parallel computing facilities, in combination with an efficient parallel implementation of the numerical approach. The second part of the thesis is devoted to the results of the numerical experiment. We identify and describe significant differences and surprising similarities in the ionization dynamics of atomic hydrogen as compared to alkali atoms, and give account of the relevant frequency scales that distinguish hydrogenic from non-hydrogenic ionization behavior. Our results necessitate a reinterpretation of the experimental results so far available, and solve the puzzle of a distinct ionization behavior of periodically driven hydrogen and non-hydrogenic Rydberg atoms - an unresolved question for about one decade. Finally, microwave-driven Rydberg states will be considered as prototypes of open, complex quantum systems that exhibit a complicated temporal decay

  8. Hidden hyperchaos and electronic circuit application in a 5D self-exciting homopolar disc dynamo

    Science.gov (United States)

    Wei, Zhouchao; Moroz, Irene; Sprott, J. C.; Akgul, Akif; Zhang, Wei

    2017-03-01

    We report on the finding of hidden hyperchaos in a 5D extension to a known 3D self-exciting homopolar disc dynamo. The hidden hyperchaos is identified through three positive Lyapunov exponents under the condition that the proposed model has just two stable equilibrium states in certain regions of parameter space. The new 5D hyperchaotic self-exciting homopolar disc dynamo has multiple attractors including point attractors, limit cycles, quasi-periodic dynamics, hidden chaos or hyperchaos, as well as coexisting attractors. We use numerical integrations to create the phase plane trajectories, produce bifurcation diagram, and compute Lyapunov exponents to verify the hidden attractors. Because no unstable equilibria exist in two parameter regions, the system has a multistability and six kinds of complex dynamic behaviors. To the best of our knowledge, this feature has not been previously reported in any other high-dimensional system. Moreover, the 5D hyperchaotic system has been simulated using a specially designed electronic circuit and viewed on an oscilloscope, thereby confirming the results of the numerical integrations. Both Matlab and the oscilloscope outputs produce similar phase portraits. Such implementations in real time represent a new type of hidden attractor with important consequences for engineering applications.

  9. Population densities and rate coefficients for electron impact excitation in singly ionized oxygen

    International Nuclear Information System (INIS)

    Awakowicz, P.; Behringer, K.

    1995-01-01

    In non-LTE arc plasmas, O II excited state number densities were measured relative to the O II ground and metastable states. The results were compared with collisional-radiative code calculations on the basis of the JET ADAS programs. Stationary He plasmas with small oxygen admixtures, generated in a 5 mm diameter cascade arc chamber (pressures 13-70 hPa, arc current 150 A), were investigated spectroscopically in the visible and the VUV spectral range. The continuum of a 2 mm diameter pure He arc (atmospheric pressure, current 100 A) served for calibration of the VUV system response. Plasma diagnostics on the basis of Hβ Stark broadening yielded electron densities between 2.4 x 10 14 and 2.0 x 10 15 cm -3 for the low-pressure O II mixture plasmas. The agreement of measured and calculated excited state populations is generally very satisfactory, thus confirming the rate coefficients in the code. This is of particular interest in this intermediate region between corona balance and LTE, where many atomic data are required in the simulation. Clear indications were found for the diffusion of metastables lowering their number densities significantly below their statistical values. (author)

  10. Lifetimes of some 4p levels of Ne I obtained by two-step (electron-photon) excitation

    International Nuclear Information System (INIS)

    Ortiz, M.; Garcia, G.; Blanco, F.; Campos, J.

    1990-01-01

    Radiative lifetimes of some levels belonging to 2p 5 4p configuration of Ne I have been determined using electron excitation followed by selective laser excitation. The experimental results of this work are 123.8±3.6 ns, 120.3±2.8 ns and 135.9±4.5 ns for the 4p'(3/2) 1 , 4p'(1/2) 1 and 4p(5/2) 2 levels respectively. (orig.)

  11. Spin-orbit excitations and electronic structure of the putative Kitaev magnet $\\alpha$-RuCl$_3$

    OpenAIRE

    Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, Kemp W.; Kee, Hae-Young; Kim, Young-June; Burch, Kenneth S.

    2015-01-01

    Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4$d$ system $\\alpha$-RuCl$_3$ has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations i...

  12. Electron-impact excitation collision strengths and theoretical line intensities for transitions in S III

    Energy Technology Data Exchange (ETDEWEB)

    Grieve, M. F. R.; Ramsbottom, C. A.; Hudson, C. E. [Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Queen' s University Belfast, Belfast, BT7 1NN (United Kingdom); Keenan, F. P., E-mail: c.ramsbottom@qub.ac.uk [Astrophysics Research Centre, School of Mathematics and Physics, Queen' s University Belfast, Belfast, BT7 1NN (United Kingdom)

    2014-01-01

    We present Maxwellian-averaged effective collision strengths for the electron-impact excitation of S III over a wide range of electron temperatures of astrophysical importance, log T{sub e} (K) = 3.0-6.0. The calculation incorporates 53 fine-structure levels arising from the six configurations—3s {sup 2}3p {sup 2}, 3s3p {sup 3}, 3s {sup 2}3p3d, 3s {sup 2}3p4s, 3s {sup 2}3p4p, and 3s {sup 2}3p4d—giving rise to 1378 individual lines and is undertaken using the recently developed RMATRX II plus FINE95 suite of codes. A detailed comparison is made with a previous R-matrix calculation and significant differences are found for some transitions. The atomic data are subsequently incorporated into the modeling code CLOUDY to generate line intensities for a range of plasma parameters, with emphasis on allowed ultraviolet extreme-ultraviolet emission lines detected from the Io plasma torus. Electron density-sensitive line ratios are calculated with the present atomic data and compared with those from CHIANTI v7.1, as well as with Io plasma torus spectra obtained by Far-Ultraviolet Spectroscopic Explorer and Extreme-Ultraviolet Explorer. The present line intensities are found to agree well with the observational results and provide a noticeable improvement on the values predicted by CHIANTI.

  13. Electronic excitation induced modifications in elongated iron nanoparticle encapsulated multiwalled carbon nanotubes under ion irradiation

    Science.gov (United States)

    Saikiran, V.; Bazylewski, P.; Sameera, I.; Bhatia, Ravi; Pathak, A. P.; Prasad, V.; Chang, G. S.

    2018-05-01

    Multi-wall carbon nanotubes (MWCNT) filled with Fe nanorods were shown to have contracted and deformed under heavy ion irradiation. In this study, 120 MeV Ag and 80 MeV Ni ion irradiation was performed to study the deformation and defects induced in iron filled MWCNT under heavy ion irradiation. The structural modifications induced due to electronic excitation by ion irradiation were investigated employing high-resolution transmission electron microscopy, micro-Raman scattering experiments, and synchrotron-based X-ray absorption and emission spectroscopy. We understand that the ion irradiation causes modifications in the Fe nanorods which result in compressions and expansions of the nanotubes, and in turn leads to the buckling of MWCNT. The G band of the Raman spectra shifts slightly towards higher wavenumber and the shoulder G‧ band enhances with the increase of ion irradiation fluence, where the buckling wavelength depends on the radius 'r' of the nanotubes as exp[(r)0.5]. The intensity ratio of the D to G Raman modes initially decreases at the lowest fluence, and then it increases with the increase in ion fluence. The electron diffraction pattern and the high resolution images clearly show the presence of ion induced defects on the walls of the tube and encapsulated iron nanorods.

  14. Experimental installation for excitation of semiconductors and dielectrics by picosecond pulsed electron beam and electric field

    International Nuclear Information System (INIS)

    Nasibov, A.S.; Berezhnoj, K.V.; Shapkin, P.V.; Reutova, A.G.; Shunajlov, S.A.; Yalandin, M.I.

    2009-01-01

    The experimental facility for shaping high-voltage pulses with amplitudes of 30-250 kV and durations of 100-500 ps and electron beams with a current density of up to 1000 A/cm -2 is described. The facility was built using the principle of energy compression of a pulse from a nanosecond high-voltage generator accompanied by the subsequent pulse sharpening and cutting. The setup is equipped with two test coaxial chambers for radiation excitation in semiconductor crystals by an electron beam or an electric field in air at atmospheric pressure and T = 300 K. Generation of laser radiation in the visible range under field and electron pumping was attained in ZnSSe, ZnSe, ZnCdS, and CdS (462, 480, 515, and 525 nm, respectively). Under the exposure to an electric field (up to 10 6 V x cm -1 ), the laser generation region is as large as 300-500 μm. The radiation divergence was within 5 Deg C. The maximum integral radiation power (6 kW at λ = 480 nm) was obtained under field pumping of a zinc selenide sample with a single dielectric mirror [ru

  15. Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

    International Nuclear Information System (INIS)

    Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

    2004-01-01

    Full text: In this paper we present results of comparison of efficiency creations of primary defects in crystals of fluorides of two different lattice structures: stone salt - LiF and rutile MgF 2 . We have used the methods with nanosecond time-resolved of pulse spectroscopy and found laws of creation and evolution self-trapped exciton (STE) and the F centers in a temperature range from 12.5 to 500 K and a time interval from 10 -8 to 10 -1 s after the ending of influence of a pulse electron. The density of excitation of crystals in a pulse is no more than 0.1 J·cm -3 , average energy electrons made 200 keV, duration electron pulse - 7 ns. It is established, that in crystal LiF under action of radiation are created STE two types which have various spectral-kinetic parameters absorption and emission transitions, various values of activation energy of processes of a post-industrial relaxation and different character of temperature dependences of creation efficiency under action electron pulse. In the field of low temperatures (12.5 K) created on center STE has absorption bands on 5.5 and 5.1 eV and emission band on 5.8 eV. Off-center STE has absorption on 5.3 and 4.75 eV and emission on 4.4 eV bands and are created in the interval 12.5-170 K with peak efficiency h area 60 K. In crystal MgF 2 at low temperatures (20 K) under action of radiation one STE with a nucleus occupying off-center configuration, having luminescence band on 3.2 eV and a series absorption transitions in area 4-5.5 eV is created. Concurrently with STE in both crystals under action of a pulse electron the F-centers with efficiency, not dependent on temperature of a crystal in area 20-100 K are created. There are two alternative processes under action of an irradiation with growth of temperature higher 100 K: reducing of STE creation and increasing of F centers creation. In both crystals quenching temperature of luminescence STE at T>60 K which is not accompanied by growth of efficiency of creation

  16. Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

    International Nuclear Information System (INIS)

    Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.

    1981-01-01

    Resonance Raman and electronic absorption spectra are reported for the S 0 and T 1 states of the carotenoids β-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C 50 )-β-carotene, β-apo-8'-carotenal, and ethyl β-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S 0 and T 1 , regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S 0 and T 1 reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T 1 states of carotenoids and in the S 1 states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S 1 lifetime (of the 1 B/sub u/ and/or the 1 A/sub g/* states) of β-carotene in benzene is less than 1 ps

  17. Electron Energy Loss and One- and Two-Photon Excited SERS Probing of “Hot” Plasmonic Silver Nanoaggregates

    DEFF Research Database (Denmark)

    Kadkhodazadeh, Shima; Wagner, Jakob Birkedal; Joseph, Virginia

    2013-01-01

    in an optical experiment and electron energy loss intensity at energies corresponding to excitation wavelengths used for optical probing. This inverse relation exists independent on specific nanoaggregate geometries and is mainly controlled by the gap size between the particles forming the aggregate. The ratio...... between two- and one-photon excited SERS measured at different excitation wavelengths provides information about local fields in the hottest spots and their dependence on the photon energy. Our data verify experimentally the predicted increase of local optical fields in the hot spots with increasing wave...

  18. Wakefield excitation by a sequence of relativistic electron bunches in dielectric waveguides of rectangular cross-section of various configurations

    International Nuclear Information System (INIS)

    Kiselev, V.A.; Linnik, A.F.; Mirnyj, V.I.; Onishchenko, I.N.; Sotnikov, G.V.; Uskov, V.V.

    2008-01-01

    The possibility to enhance the efficiency of wake wave excitation in dielectric waveguides of rectangular cross-section was investigated by increase of electron bunches coupling with excited wakefield that was achieved by decrease of transit channel cross-section. At that for each configuration the required changes of dielectric plates size were made to for maintain the coincidence concurrence of bunch repetition frequency and frequency of the principal transverse mode of the corresponding dielectric waveguide. It is established, the decrease of transit channel leading to essential changing of topography of total field excited wake wave

  19. Excited-state dynamics of oxazole: A combined electronic structure calculations and dynamic simulations study

    International Nuclear Information System (INIS)

    Cao, Jun; Xie, Zhi-Zhong; Yu, Xiaodong

    2016-01-01

    In the present work, the combined electronic structure calculations and surface hopping simulations have been performed to investigate the excited-state decay of the parent oxazole in the gas phase. Our calculations show that the S_2 state decay of oxazole is an ultrafast process characterized by the ring-opening and ring-closure of the five-membered oxazole ring, in which the triplet contribution is minor. The ring-opening involves the O−C bond cleavage affording the nitrile ylide and airine intermediates, while the ring-closure gives rise to a bicyclic species through a 2−5 bond formation. The azirine and bicyclic intermediates in the S_0 state are very likely involved in the phototranspositions of oxazoles. This is different from the previous mechanism in which these intermediates in the T_1 state have been proposed for these phototranspositions.

  20. Perpendicular State of an Electronically Excited Stilbene: Observation by Femtosecond-Stimulated Raman Spectroscopy.

    Science.gov (United States)

    Quick, Martin; Dobryakov, Alexander L; Ioffe, Ilya N; Granovsky, Alex A; Kovalenko, Sergey A; Ernsting, Nikolaus P

    2016-10-20

    In the photoisomerization path of stilbene, a perpendicular state P on the S 1 potential energy surface is expected just before internal conversion through a conical intersection S 1 /S 0 . For decades the observation of P was thwarted by a short lifetime τ P in combination with slow population flow over a barrier. But these limitations can be overcome by ethylenic substitution. Following optical excitation of trans-1,1'-dicyanostilbene, P is populated significantly (τ P = 27 ps in n-hexane) and monitored by an exited-state absorption band at 370 nm. Here we report stimulated Raman lines of P. The strongest, at 1558 cm -1 , is attributed to stretching vibrations of the phenyl rings. Transient electronic states, resonance conditions, and corresponding Raman signals are discussed.

  1. Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry

    Science.gov (United States)

    Tang, Yang; Wei, Juan; Costello, Catherine E.; Lin, Cheng

    2018-04-01

    The occurrence of numerous structural isomers in glycans from biological sources presents a severe challenge for structural glycomics. The subtle differences among isomeric structures demand analytical methods that can provide structural details while working efficiently with on-line glycan separation methods. Although liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a powerful tool for mixture analysis, the commonly utilized collision-induced dissociation (CID) method often does not generate a sufficient number of fragments at the MS2 level for comprehensive structural characterization. Here, we studied the electronic excitation dissociation (EED) behaviors of metal-adducted, permethylated glycans, and identified key spectral features that could facilitate both topology and linkage determinations. We developed an EED-based, nanoscale, reversed phase (RP)LC-MS/MS platform, and demonstrated its ability to achieve complete structural elucidation of up to five structural isomers in a single LC-MS/MS analysis. [Figure not available: see fulltext.

  2. Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

    Science.gov (United States)

    Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

    2011-04-15

    The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

  3. Dirac R-matrix calculations of electron-impact excitation of neon-like krypton

    Energy Technology Data Exchange (ETDEWEB)

    Griffin, D C; Ballance, C P [Department of Physics, Rollins College, Winter Park, FL 32789 (United States); Mitnik, D M [Instituto de Astronomia y Fisica del Espacio, and Departamento de Fisica, Universidad de Buenos Aires (Argentina); Berengut, J C [School of Physics, University of New South Wales, Sydney 2052 (Australia)

    2008-11-14

    We have employed the Dirac R-matrix method to determine electron-impact excitation cross sections and effective collision strengths in Ne-like Kr{sup 26+}. Both the configuration-interaction expansion of the target and the close-coupling expansion employed in the scattering calculation included 139 levels up through n = 5. Many of the cross sections are found to exhibit very strong resonances, yet the effects of radiation damping on the resonance contributions are relatively small. Using these collisional data along with multi-configuration Dirac-Fock radiative rates, we have performed collisional-radiative modeling calculations to determine line-intensity ratios for various radiative transitions that have been employed for diagnostics of other Ne-like ions.

  4. Inhomogeneous free-electron distribution in InN nanowires: Photoluminescence excitation experiments

    Science.gov (United States)

    Segura-Ruiz, J.; Molina-Sánchez, A.; Garro, N.; García-Cristóbal, A.; Cantarero, A.; Iikawa, F.; Denker, C.; Malindretos, J.; Rizzi, A.

    2010-09-01

    Photoluminescence excitation (PLE) spectra have been measured for a set of self-assembled InN nanowires (NWs) and a high-crystalline quality InN layer grown by molecular-beam epitaxy. The PLE experimental lineshapes have been reproduced by a self-consistent calculation of the absorption in a cylindrical InN NW. The differences in the PLE spectra can be accounted for the inhomogeneous electron distribution within the NWs caused by a bulk donor concentration (ND+) and a two-dimensional density of ionized surface states (Nss+) . For NW radii larger than 30 nm, ND+ and Nss+ modify the absorption edge and the lineshape, respectively, and can be determined from the comparison with the experimental data.

  5. Ab initio theoretical calculations of the electronic excitation energies of small water clusters.

    Science.gov (United States)

    Tachikawa, Hiroto; Yabushita, Akihiro; Kawasaki, Masahiro

    2011-12-14

    A direct ab initio molecular dynamics method has been applied to a water monomer and water clusters (H(2)O)(n) (n = 1-3) to elucidate the effects of zero-point energy (ZPE) vibration on the absorption spectra of water clusters. Static ab initio calculations without ZPE showed that the first electronic transitions of (H(2)O)(n), (1)B(1)←(1)A(1), are blue-shifted as a function of cluster size (n): 7.38 eV (n = 1), 7.58 eV (n = 2) and 8.01 eV (n = 3). The inclusion of the ZPE vibration strongly affects the excitation energies of a water dimer, and a long red-tail appears in the range of 6.42-6.90 eV due to the structural flexibility of a water dimer. The ultraviolet photodissociation of water clusters and water ice surfaces is relevant to these results.

  6. Atmospheric hydroxyl radical production from electronically excited NO2 and H2O.

    Science.gov (United States)

    Li, Shuping; Matthews, Jamie; Sinha, Amitabha

    2008-03-21

    Hydroxyl radicals are often called the "detergent" of the atmosphere because they control the atmosphere's capacity to cleanse itself of pollutants. Here, we show that the reaction of electronically excited nitrogen dioxide with water can be an important source of tropospheric hydroxyl radicals. Using measured rate data, along with available solar flux and atmospheric mixing ratios, we demonstrate that the tropospheric hydroxyl contribution from this source can be a substantial fraction (50%) of that from the traditional O(1D) + H2O reaction in the boundary-layer region for high solar zenith angles. Inclusion of this chemistry is expected to affect modeling of urban air quality, where the interactions of sunlight with emitted NOx species, volatile organic compounds, and hydroxyl radicals are central in determining the rate of ozone formation.

  7. Electronic excitation of some silicium compounds in the vacuum ultravi olet region

    International Nuclear Information System (INIS)

    Rocco, M.L.M.

    1986-01-01

    Angle-resolved electron energy-loss spectra have been measured for the tetramethylsilane, trimethylchlorosilane and dimethyldichloresilane molecules in the 5 - 300 eV energy range. The spectra have been obtained at 1 KeV incident energy, with an energy resolution of about 0.5 eV (valense region) and 0.8 eV (inner-shell region). Both the valence and core-level excitation bands can be as associated to transitions to Rydber and valence states. No dipole-allowed transition has been observed in the spectra measured in the angular range of 1 to 9 degrees (valence region) and 3 to 7 degrees (inner-shell region). (Author) [pt

  8. Excitation of bond-alternating spin-1/2 Heisenberg chains by tunnelling electrons

    International Nuclear Information System (INIS)

    Gauyacq, J-P; Lorente, N

    2014-01-01

    Inelastic electron tunneling spectra (IETS) are evaluated for spin-1/2 Heisenberg chains showing different phases of their spin ordering. The spin ordering is controlled by the value of the two different Heisenberg couplings on the two sides of each of the chain's atoms (bond-alternating chains). The perfect anti-ferromagnetic phase, i.e. a unique exchange coupling, marks a topological quantum phase transition (TQPT) of the bond-alternating chain. Our calculations show that the TQPT is recognizable in the excited states of the chain and hence that IETS is in principle capable of discriminating the phases. We show that perfectly symmetric chains, such as closed rings mimicking infinite chains, yield the same spectra on both sides of the TQPT and IETS cannot reveal the nature of the spin phase. However, for finite size open chains, both sides of the TQPT are associated with different IETS spectra, especially on the edge atoms, thus outlining the transition. (paper)

  9. Excitation of the 1P and 3P levels of Mg atom by electron impact

    International Nuclear Information System (INIS)

    Avdonina, N.B.; Amus'ya, M.Ya.

    1983-01-01

    Using a diagram method of the many-body theory in the first order of the perturbation theory for the interaction of incident electron and atom expressions for differential and integral excitation cross sections of 3s → 3p 1 P and 3s → 3p 3 P magnesium have been derived. Calculational results are compared with experimental as well as with calculations made in the approximation of a strong coupling. In a wide range of scattering angles good agreement with cross sections measured experimentally has been obtained. Necessity of the diagram consideration of a higher order of the perturbation theory during the investigation of the scattering processes at small angles is concluded on the basis of the above comparison

  10. Excited-state dynamics of oxazole: A combined electronic structure calculations and dynamic simulations study

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Jun [Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Education University, Guiyang, Guizhou 550018 (China); Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced Manufacturing Technology, Guizhou Education University, Guiyang 550018 (China); Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875 (China); Xie, Zhi-Zhong [Department of Chemistry, School of Chemistry, Chemical Engineering and Life Sciences, Wuhan University of Technology, Wuhan 430070 (China); Yu, Xiaodong, E-mail: yuxdhy@163.com [Department of Architecture and Chemical Engineering, Tangshan Polytechnic College, Tangshan 063020 (China)

    2016-08-02

    In the present work, the combined electronic structure calculations and surface hopping simulations have been performed to investigate the excited-state decay of the parent oxazole in the gas phase. Our calculations show that the S{sub 2} state decay of oxazole is an ultrafast process characterized by the ring-opening and ring-closure of the five-membered oxazole ring, in which the triplet contribution is minor. The ring-opening involves the O−C bond cleavage affording the nitrile ylide and airine intermediates, while the ring-closure gives rise to a bicyclic species through a 2−5 bond formation. The azirine and bicyclic intermediates in the S{sub 0} state are very likely involved in the phototranspositions of oxazoles. This is different from the previous mechanism in which these intermediates in the T{sub 1} state have been proposed for these phototranspositions.

  11. The effect of closed channels on the electron impact excitation of Mg +, Cd + ions

    Science.gov (United States)

    Li, Yueming

    2018-04-01

    Based on the developed method for solving the multi-channel equation, which had been applied to the calculations of several kinds of ions including only open-open interactions, closed channels and their interactions with open channels have been studied. The wave functions of the closed channels are also expressed in terms of their homogeneous solutions which is just the same as for open channels. The homogeneous solutions are described and solved in WKB form, therefore the regular and irregular solutions as well as the quantum defect numbers can be obtained simultaneously. Excitations of Mg +, Cd + ions impact by electrons are calculated for energies close to the thresholds. The results are compared with those of the experimental observations and previous theoretical calculations. The effect of including the closed channels, especially when the energy passes through the resonance energies, has been discussed according to the deduced formulae and the calculated results.

  12. Harmonics generation of a terahertz wakefield free-electron laser from a dielectric loaded waveguide excited by a direct current electron beam.

    Science.gov (United States)

    Li, Weiwei; Lu, Yalin; He, Zhigang; Jia, Qika; Wang, Lin

    2016-06-01

    We propose to generate high-power terahertz (THz) radiation from a cylindrical dielectric loaded waveguide (DLW) excited by a direct-current electron beam with the harmonics generation method. The DLW supports a discrete set of modes that can be excited by an electron beam passing through the structure. The interaction of these modes with the co-propagating electron beam results in micro-bunching and the coherent enhancement of the wakefield radiation, which is dominated by the fundamental mode. By properly choosing the parameters of DLW and beam energy, the high order modes can be the harmonics of the fundamental one; thus, high frequency radiation corresponding to the high order modes will benefit from the dominating bunching process at the fundamental eigenfrequency and can also be coherently excited. With the proposed method, high power THz radiation can be obtained with an easily achievable electron beam and a large DLW structure.

  13. Theoretical description of protein field effects on electronic excitations of biological chromophores

    International Nuclear Information System (INIS)

    Varsano, Daniele; Caprasecca, Stefano; Coccia, Emanuele

    2017-01-01

    Photoinitiated phenomena play a crucial role in many living organisms. Plants, algae, and bacteria absorb sunlight to perform photosynthesis, and convert water and carbon dioxide into molecular oxygen and carbohydrates, thus forming the basis for life on Earth. The vision of vertebrates is accomplished in the eye by a protein called rhodopsin, which upon photon absorption performs an ultrafast isomerisation of the retinal chromophore, triggering the signal cascade. Many other biological functions start with the photoexcitation of a protein-embedded pigment, followed by complex processes comprising, for example, electron or excitation energy transfer in photosynthetic complexes. The optical properties of chromophores in living systems are strongly dependent on the interaction with the surrounding environment (nearby protein residues, membrane, water), and the complexity of such interplay is, in most cases, at the origin of the functional diversity of the photoactive proteins. The specific interactions with the environment often lead to a significant shift of the chromophore excitation energies, compared with their absorption in solution or gas phase. The investigation of the optical response of chromophores is generally not straightforward, from both experimental and theoretical standpoints; this is due to the difficulty in understanding diverse behaviours and effects, occurring at different scales, with a single technique. In particular, the role played by ab initio calculations in assisting and guiding experiments, as well as in understanding the physics of photoactive proteins, is fundamental. At the same time, owing to the large size of the systems, more approximate strategies which take into account the environmental effects on the absorption spectra are also of paramount importance. Here we review the recent advances in the first-principle description of electronic and optical properties of biological chromophores embedded in a protein environment. We show

  14. Theoretical description of protein field effects on electronic excitations of biological chromophores

    Science.gov (United States)

    Varsano, Daniele; Caprasecca, Stefano; Coccia, Emanuele

    2017-01-01

    Photoinitiated phenomena play a crucial role in many living organisms. Plants, algae, and bacteria absorb sunlight to perform photosynthesis, and convert water and carbon dioxide into molecular oxygen and carbohydrates, thus forming the basis for life on Earth. The vision of vertebrates is accomplished in the eye by a protein called rhodopsin, which upon photon absorption performs an ultrafast isomerisation of the retinal chromophore, triggering the signal cascade. Many other biological functions start with the photoexcitation of a protein-embedded pigment, followed by complex processes comprising, for example, electron or excitation energy transfer in photosynthetic complexes. The optical properties of chromophores in living systems are strongly dependent on the interaction with the surrounding environment (nearby protein residues, membrane, water), and the complexity of such interplay is, in most cases, at the origin of the functional diversity of the photoactive proteins. The specific interactions with the environment often lead to a significant shift of the chromophore excitation energies, compared with their absorption in solution or gas phase. The investigation of the optical response of chromophores is generally not straightforward, from both experimental and theoretical standpoints; this is due to the difficulty in understanding diverse behaviours and effects, occurring at different scales, with a single technique. In particular, the role played by ab initio calculations in assisting and guiding experiments, as well as in understanding the physics of photoactive proteins, is fundamental. At the same time, owing to the large size of the systems, more approximate strategies which take into account the environmental effects on the absorption spectra are also of paramount importance. Here we review the recent advances in the first-principle description of electronic and optical properties of biological chromophores embedded in a protein environment. We show

  15. Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

    International Nuclear Information System (INIS)

    Thirumalai, D.; Onda, K.; Truhlar, D.G.

    1981-01-01

    Coupled-channels calculations based on an effective potential are presented for electron scattering by CO 2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent

  16. Observation and Theoretical Description of Periodic Geometric Rearrangement in Electronically Excited Nonstoichiometric Sodium-Fluoride Clusters

    Czech Academy of Sciences Publication Activity Database

    Vajda, Š.; Lupulescu, C.; Merli, A.; Budzyn, F.; Wöste, L.; Hartmann, M.; Pittner, Jiří; Bonačič-Koutecký, V.

    2002-01-01

    Roč. 89, č. 21 (2002), s. 213404.1-213404.4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z4040901 Keywords : alkali-halide clusters * Wigner distribution approach * ab initio Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 7.323, year: 2002

  17. Deconvolution of overlapping features in electron energy-loss spectra: the determination of absolute differential cross sections for electron-impact excitation of electronic states of molecules

    International Nuclear Information System (INIS)

    Campbell, L.; Brunger, M.J.; Teubner, O.J.P.; Mojarrabi, B.

    1996-06-01

    A set of three computer programs is reported which allow for the deconvolution of overlapping molecular electronic state structure in electron energy-loss spectra, even in highly perturbed systems. This procedure enables extraction of absolute differential cross sections for electron-impact excitation of electronic states of diatomic molecules from electron energy-loss spectra. The first code in the sequence uses the Rydberg-Klein-Rees procedure to generate potential energy curves from spectroscopic constants, while the second calculates Franck-Condon factors by numerical solution of the Schroedinger equation, given the potential energy curves. The third, given these Franck-Condon factors, the previously calculated relevant energies for the vibrational levels of the respective electronic states and the experimental energy-loss spectra, extracts the differential cross sections for each state. Each program can be run independently, or the three can run in sequence to determine these cross sections from the spectroscopic constants and the experimental energy-loss spectra. The application of these programs to the specific case of electron scattering from nitric oxide (NO) is demonstrated. 25 refs., 2 tabs., 2 figs

  18. Electronically excited and ionized states in condensed phase: Theory and applications

    Science.gov (United States)

    Sadybekov, Arman

    Predictive modeling of chemical processes in silico is a goal of XXI century. While robust and accurate methods exist for ground-state properties, reliable methods for excited states are still lacking and require further development. Electronically exited states are formed by interactions of matter with light and are responsible for key processes in solar energy harvesting, vision, artificial sensors, and photovoltaic applications. The greatest challenge to overcome on our way to a quantitative description of light-induced processes is accurate inclusion of the effect of the environment on excited states. All above mentioned processes occur in solution or solid state. Yet, there are few methodologies to study excited states in condensed phase. Application of highly accurate and robust methods, such as equation-of-motion coupled-cluster theory EOM-CC, is limited by a high computational cost and scaling precluding full quantum mechanical treatment of the entire system. In this thesis we present successful application of the EOM-CC family of methods to studies of excited states in liquid phase and build hierarchy of models for inclusion of the solvent effects. In the first part of the thesis we show that a simple gasphase model is sufficient to quantitatively analyze excited states in liquid benzene, while the latter part emphasizes the importance of explicit treatment of the solvent molecules in the case of glycine in water solution. In chapter 2, we use a simple dimer model to describe exciton formation in liquid and solid benzene. We show that sampling of dimer structures extracted from the liquid benzene is sufficient to correctly predict exited-state properties of the liquid. Our calculations explain experimentally observed features, which helped to understand the mechanism of the excimer formation in liquid benzene. Furthermore, we shed light on the difference between dimer configurations in the first solvation shell of liquid benzene and in unit cell of solid

  19. Effect of Alkali-Acid-Heat Chemical Surface Treatment on Electron Beam Melted Porous Titanium and Its Apatite Forming Ability

    NARCIS (Netherlands)

    Bsat, S.; Yavari, S.; Munsch, M.; Valstar, E.R.; Zadpoor, A.A.

    2015-01-01

    Advanced additive manufacturing techniques such as electron beam melting (EBM), can produce highly porous structures that resemble the mechanical properties and structure of native bone. However, for orthopaedic applications, such as joint prostheses or bone substitution, the surface must also be

  20. A Non-Exploding Alkali Metal Drop on Water: From Blue Solvated Electrons to Bursting Molten Hydroxide

    Czech Academy of Sciences Publication Activity Database

    Mason, Philip E.; Buttersack, T.; Bauerecker, S.; Jungwirth, Pavel

    2016-01-01

    Roč. 55, č. 42 (2016), s. 13019-13022 ISSN 1433-7851 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : sodium potassium alloy * water * hydrated electrons Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.994, year: 2016