WorldWideScience

Sample records for atomic spectra

  1. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  2. Students' Mental Models of Atomic Spectra

    Science.gov (United States)

    Körhasan, Nilüfer Didis; Wang, Lu

    2016-01-01

    Mental modeling, which is a theory about knowledge organization, has been recently studied by science educators to examine students' understanding of scientific concepts. This qualitative study investigates undergraduate students' mental models of atomic spectra. Nine second-year physics students, who have already taken the basic chemistry and…

  3. Atomic Spectra Bibliography Databases at NIST

    Science.gov (United States)

    Kramida, Alexander

    2008-05-01

    NIST's Atomic Spectroscopy Data Center maintains three online Bibliographic Databases (BD) containing references to papers with atomic data for controlled fusion research, modeling and diagnostics of astrophysical and terrestrial plasmas, and fundamental properties of electronic spectra of atoms and ions. The NIST Atomic Energy Levels and Spectra BD [http://physics.nist.gov/elevbib] now includes about 11500 references, mostly for years 1967--2007. The NIST Atomic Transition Probability BD, v. 8.1 [http://physics.nist.gov/fvalbib] with its 7500 references mainly covers years 1964--2007. The NIST Spectral Line Broadening BD, v. 2.0 [http://physics.nist.gov/linebrbib] has 3670 references, mostly for 1978--2006. All three databases are maintained in a unified database management system that allows us to quickly update the contents. Updates become available to users on the next day. An automated Data Entry module makes it easy to enter and categorize the data. The system allows us to keep the contents of all BDs up to date. A number of enhancements made since last year greatly increased public usability of the databases. This work is supported in part by the Office of Fusion Energy Sciences of the U.S. Department of Energy and by the National Aeronautics and Space Administration.

  4. Spreadsheet-Based Program for Simulating Atomic Emission Spectra

    Science.gov (United States)

    Flannigan, David J.

    2014-01-01

    A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

  5. The Hilbert transform: Applications to atomic spectra

    CERN Document Server

    Whittaker, K A; Hughes, I G; Adams, C S

    2014-01-01

    In many areas of physics, the Kramers-Kronig (KK) relations are used to extract information about the real part of the optical response of a medium from its imaginary counterpart. In this paper we discuss an alternative but mathematically equivalent approach based on the Hilbert transform. We apply the Hilbert transform to transmission spectra to find the group and refractive indices of a Cs vapor, and thereby demonstrate how the Hilbert transform allows indirect measurement of the refractive index, group index and group delay whilst avoiding the use of complicated experimental set ups.

  6. Recurrence spectra of He atoms in strong external fields

    Institute of Scientific and Technical Information of China (English)

    LIN Shenglu; LI Hongyun; WANG Dehua; ZHAO Wenli; GAO Feng

    2004-01-01

    By employing a model potential including the electron exchange energy, we extend the semiclassical closed orbit theory to study the multielectron atoms. Using special region-splitting consistent and iterative method, we figure out the closed orbits in the corresponding classical system and calculate the recurrence spectra of triplet helium atoms in parallel electric and magnetic fields at scaled energy ε = -0.03, n≈40, m = 0.The core-scattering effects have been taken into account, which lead to more peaks in the spectra. It has also been confirmed by means of the direct comparison between the spectral portrait in such a plot and those of hydrogen case. In order to compare the theoretic results with experiment, we investigate the closed orbits and recurrence spectra of helium atoms for the similar exchange potential but applied only by single electric field at scaled energy s= -2.7 case. The spectra are in good agreement with the experimental observation. We conclude that our model is correct and it is necessary to consider the exchange effect for determining the photoabsorption spectra of multielectron atoms in strong external fields.

  7. Random-matrix theory and complex atomic spectra

    CERN Document Server

    Pain, Jean-Christophe

    2012-01-01

    Around 1950, Wigner introduced the idea of modelling physical reality with an ensemble of random matrices while studying the energy levels of heavy atomic nuclei. Since then, the field of random-matrix theory has grown tremendously, with applications ranging from fluctuations on the economic markets to complex atomic spectra. The purpose of this short article is to review several attempts to apply the basic concepts of random-matrix theory to the structure and radiative transitions of atoms and ions, using the random matrices originally introduced by Wigner in the framework of the gaussian orthogonal ensemble. Some intrinsic properties of complex-atom physics, which could be enlightened by random-matrix theory, are presented.

  8. Characterization of anomalous Zeeman patterns in complex atomic spectra

    CERN Document Server

    Pain, Jean-Christophe

    2012-01-01

    The modeling of complex atomic spectra is a difficult task, due to the huge number of levels and lines involved. In the presence of a magnetic field, the computation becomes even more difficult. The anomalous Zeeman pattern is a superposition of many absorption or emission profiles with different Zeeman relative strengths, shifts, widths, asymmetries and sharpnesses. We propose a statistical approach to study the effect of a magnetic field on the broadening of spectral lines and transition arrays in atomic spectra. In this model, the sigma and pi profiles are described using the moments of the Zeeman components, which depend on quantum numbers and Land\\'{e} factors. A graphical calculation of these moments, together with a statistical modeling of Zeeman profiles as expansions in terms of Hermite polynomials are presented. It is shown that the procedure is more efficient, in terms of convergence and validity range, than the Taylor-series expansion in powers of the magnetic field which was suggested in the past...

  9. Atomic collision processes for modelling cool star spectra

    Science.gov (United States)

    Barklem, Paul

    2015-05-01

    The abundances of chemical elements in cool stars are very important in many problems in modern astrophysics. They provide unique insight into the chemical and dynamical evolution of the Galaxy, stellar processes such as mixing and gravitational settling, the Sun and its place in the Galaxy, and planet formation, to name a just few examples. Modern telescopes and spectrographs measure stellar spectral lines with precision of order 1 per cent, and planned surveys will provide such spectra for millions of stars. However, systematic errors in the interpretation of observed spectral lines leads to abundances with uncertainties greater than 20 per cent. Greater precision in the interpreted abundances should reasonably be expected to lead to significant discoveries, and improvements in atomic data used in stellar atmosphere models play a key role in achieving such advances in precision. In particular, departures from the classical assumption of local thermodynamic equilibrium (LTE) represent a significant uncertainty in the modelling of stellar spectra and thus derived chemical abundances. Non-LTE modelling requires large amounts of radiative and collisional data for the atomic species of interest. I will focus on inelastic collision processes due to electron and hydrogen atom impacts, the important perturbers in cool stars, and the progress that has been made. I will discuss the impact on non-LTE modelling, and what the modelling tells us about the types of collision processes that are important and the accuracy required. More specifically, processes of fundamentally quantum mechanical nature such as spin-changing collisions and charge transfer have been found to be very important in the non-LTE modelling of spectral lines of lithium, oxygen, sodium and magnesium.

  10. Transient absorption spectra of the laser-dressed hydrogen atom

    Science.gov (United States)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-10-01

    We present a theoretical study of transient absorption spectra of laser-dressed hydrogen atoms, based on numerical solutions of the time-dependent Schrödinger equation. The timing of absorption is controlled by the delay between an extreme ultra violet (XUV) pulse and an infrared (IR) laser field. The XUV pulse is isolated and several hundred attoseconds in duration, which acts as a pump to drive the ground-state electron to excited p states. The subsequent interaction with the IR field produces dressed states, which manifest as sidebands between the 1s-np absorption spectra separated by one IR-photon energy. We demonstrate that the population of dressed states is maximized when the timing of the XUV pulse coincides with the zero crossing of the IR field, and that their energies can be manipulated in a subcycle time scale by adding a chirp to the IR field. An alternative perspective to the problem is to think of the XUV pulse as a probe to detect the dynamical ac Stark shifts. Our results indicate that the accidental degeneracy of the hydrogen excited states is removed while they are dressed by the IR field, leading to large ac Stark shifts. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 levels using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional three-level model that neglects the dynamical ac Stark shifts.

  11. Absorption and Recurrence Spectra of Nonhydrogenic Rydberg Atom Near a Metal Surface

    Institute of Scientific and Technical Information of China (English)

    ZHOU Jun; WANG De-Hua; XUE Chun-Hua; QI Yi-Hong; LOU Sen-Yue

    2008-01-01

    Multielectron atoms near a metal surface are essentially more complicated than hydrogen atom with regard to theoretical treatments. By using the semicalssical closed orbit theory generalized to the multielecton atoms, we study the dynamical properties of the Rydberg lithium atom near a metal surface. The photoabsorption spectra and recurrence spectra of this system have also been calculated. Considering the effect of the ionic core potential of the Rydberg lithium atom, the number of the closed orbits increases, which leads to more peaks in the recurrence spectra than the case of hydrogen atom near a metal surface. This result shows that the core-scattered effects play an important role in nonhydrogenic atoms. This study is a new application of the dosed-orbit theory and is of potential experimental interest.

  12. TIME—RESOLVED X—RAY SPECTRA AND ATOMIC PROCESSES

    Institute of Scientific and Technical Information of China (English)

    TakakoKATO

    1990-01-01

    In this article we will discuss time-resolved He-like X-ray spectra of titanium ions from a TFTR tokamak plasma[1] and of iron ions from solar flares[2] in particular attention to a presence of high energy electrons which affect the spectra and ionization balances.We consider a model that a hot component interacts with a bulk plasma.With this model,the time evolution of the spectra and ionization balaces derived therefrom can be described consistently.

  13. Hyperfine Magnetic Anomaly in the Atomic Spectra of the Rare-Earth Elements

    CERN Document Server

    Gangrsky, Yu P; Karaivanov, D V; Kolesnikov, N N; Marinova, K P; Markov, B N; Rostovsky, V S

    2001-01-01

    The constants of the hyperfine splitting in the atomic optical spectra of the rare-earth elements - Nd, Eu, Gd and Lu - were measured. The method of laser resonance fluorescence in the parallel atomic beam was used. The values of the hyperfine magnetic anomaly were determined from the comparison of magnetic dipole constant ratios of the neighbouring odd Z or N isotopes for the different atomic levels. The connection of these values and the parameters of atomic and nuclear structure is discussed.

  14. The generalized sturmian method for calculating spectra of atoms and ions

    DEFF Research Database (Denmark)

    Avery, James Emil; Avery, John Scales

    2003-01-01

    The properties of generalized Sturmian basis sets are reviewed, and functions of this type are used to perform direct configuration interaction calculations on the spectra of atoms and ions. Singlet excited states calculated in this way show good agreement with experimentally measured spectra. When...... the generalized Sturmian method is applied to atoms, the configurations are constructed from hydrogenlike atomic orbitals with an effective charge which is characteristic of the configuration. Thus, orthonormality between the orbitals of different configurations cannot be assumed, and the generalized Slater...... is primarily outside the atom or ion, with only a small amplitude inside....

  15. Lyapunov spectra and conjugate-pairing rule for confined atomic fluids

    DEFF Research Database (Denmark)

    Bernadi, Stefano; Todd, B.D.; Hansen, Jesper Schmidt

    2010-01-01

    In this work we present nonequilibrium molecular dynamics simulation results for the Lyapunov spectra of atomic fluids confined in narrow channels of the order of a few atomic diameters. We show the effect that realistic walls have on the Lyapunov spectra. All the degrees of freedom of the confined...... the spectrum reflects the presence of two different dynamics in the system: one for the unthermostatted fluid atoms and the other one for the thermostatted and tethered wall atoms. In particular the Lyapunov spectrum of the whole system does not satisfy the conjugate-pairing rule. Two regions are instead...

  16. Semiclassical calculation of the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields

    Institute of Scientific and Technical Information of China (English)

    Wang De-Hua; Lin Sheng-Lu

    2004-01-01

    Closed orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. By developing the closed orbit theory from two degrees of freedom to three non-separable degrees of freedom, we calculated the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields. The closed orbits in the corresponding classical system have also been obtained. Fourier transformed spectra of He atoms have allowed direct comparison between the resonance peaks and the scaled action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. The semiclassical result is in good agreement with the quantum spectra, which suggests that our method is correct.

  17. Absorption and Recurrence Spectra of Sodium Rydberg Atom in a Strong External Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua; LIN Sheng-Lu

    2004-01-01

    Using core-scattered closed-orbit theory, we calculate the photoabsorption and the scaled recurrence spectra of sodium Rydberg atom in strong magnetic field below ionization threshold. The non-Coulombic nature of the ionic core have been modified by a model potential, which includes an attractive Coulomb potential and a short-ranged core potential. A family of core-scattered nonhydrogenic closed orbits have also been discovered. The Fourier transformed spectra of sodium atom have allowed direct comparison between peaks in such plot and the scaled action values of closed orbits. The new peaks in the recurrence spectra of sodium atom have been considered as effects caused by the core scattering of returning waves at the ionic core. The results are compared with those of hydrogen case, which show that the core-scattered effects play an important role in alkali-metal atoms.

  18. Absorption and Recurrence Spectra of Sodium Rydberg Atom in a Strong External Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    WANGDe-Hua; LINSheng-Lu

    2004-01-01

    Using core-scattered closed-orbit theory, we calculate the photoabsorption and the scaled recurrence spectra of sodium Rydberg atom in strong magnetic fied below ionization threshoM. The non-Coulombic nature of the ionic core have been modified by a model potential, which includes an attractive Coulomb potential and a short-ranged core potential. A family of core-scattered nonhydrogenic closed orbits have also been discovered. The Fourier transformed spectra of sodium atom have allowed direct comparison between peaks in such plot and the scaled action values of closed orbits. The new peaks in the recurrence spectra of sodium atom have been considered as effects caused by the core scattering of returning waves at the ionic core. The results are compared with those of hydrogen case, which show that the core-scattered effects play an important role in alkali-metal atoms.

  19. The influence of laser pulse on the photoabsorption spectra of Li atom in strong external field

    Institute of Scientific and Technical Information of China (English)

    WANG; Dehua; LIN; Shenglu

    2006-01-01

    Using the time-dependent perturbation theory and the calculation formula of the single- and double-pulse absorption spectra of the atom in strong external fields, we calculate the single- and double-pulse absorption spectra of Li atom in strong magnetic field for different pulse widths. The results show that a pulse of some width can reduce the contribution of the short period closed orbits and eliminate the contribution of the long period orbits. Compared with the single-pulse absorption spectra, we found that for some phase differences, the double-pulse laser absorption spectra are strengthened; while for others, they are reduced. Therefore, we can use the pulse laser to control the oscillation of the absorption spectra and obtain the optimization object.

  20. Energy Spectra of the Confined Atoms Obtained by Using B-Splines

    Institute of Scientific and Technical Information of China (English)

    SHI Ting-Yun; BAO Cheng-Guang; LI Bai-Wen

    2001-01-01

    We have calculated the energy spectra of one- and two-electron atoms (ions) centered in an impenetrable spherical box by variational method with B-splines as basis functions. Accurate results are obtained for both large and small radii of confinement. The critical box radius of confined hydrogen atom is also calculated to show the usefulness of our method. A partial energy degeneracy in confined hydrogen atom is found when the radius of spherical box is equal to the distance at which a node of single-node wavefunctions of free hydrogen atom is located.

  1. The closed-orbit and the photoabsorption spectra of lithium atom in varyingmagnetic fields

    Institute of Scientific and Technical Information of China (English)

    Wang De-Hua; Ding Shi-Liang

    2004-01-01

    @@ Using a simple analytic formula from closed orbit theory, we have calculated the photoabsorption spectra of Li atom in different magnetic fields. Closed orbits in the corresponding classical system have also been obtained for B=5.96T. We demonstrate schematically that the closed orbits disappear gradually with the decrease of the magnitude of the magnetic field. This gives us a good method to control the closed orbits in the corresponding system by changing the magnetic field, and thus changing the peaks in the photoabaorption spectra. By comparing the photoabsorption spectra of Li atom with those of hydrogen case, we find the core-scattered effects play an important role in multi-electron Rydberg atoms.

  2. Semiclassical Calculation of Recurrence Spectra of Li Rydberg Atom in Crossed Electric and Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua; DING Shi-Liang

    2003-01-01

    Closed-orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. Using the closed-orbit theory and classical perturbation theory, we calculate the scaled recurrence spectra of Lithium atom in magnetic field plus a weak perpendicular electric field. The results show when the crossed electric field is added, the recurrence spectra are weakened greatly. As the scaled electric field f increases, the peaks of the recurrence spectra lose strength. Some recurrences are very sensitive and fall off rapidly as f increases; others persist till much higher f . As the electric field is stronger, some of the peaks revive. This phenomenon, caused by the interference among the electron waves that return to the nucleus, can be computed from the azimuthal dependence of the classical closed orbits.

  3. Semiclassical Calculation of Recurrence Spectra of Li Rydberg Atom in Crossed Electric and Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    WANGDe-Hua; DINGShi-Liang

    2003-01-01

    Closed-orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. Using the dosed-orblt theory and classical perturbation theory, we calculate the scaled recurrence spectra of Lithium atom in magnetic field plus a weak perpendicular electric field. The results show when the crossed electric field is added, the recurrence spectra are weakened greatly. As the scaled electric field f increases, the peaks of the recurrence spectra lose strength. Some recurrences are very sensitive and fall off rapidly as f increases, others persist till much higher f. As the electric field is stronger, some of the peaks revive. This phenomenon, caused by the interference among the electron waves that return to the nucleus, can be computed from the azimuthal dependence of the classical closed orbits.

  4. Unraveling the absorption spectra of alkali metal atoms attached to helium nanodroplets.

    Science.gov (United States)

    Bünermann, Oliver; Droppelmann, Georg; Hernando, Alberto; Mayol, Ricardo; Stienkemeier, Frank

    2007-12-13

    The absorption spectra of the first electronic exited state of alkali metal atoms on helium nanodroplets formed of both 4He and 3He isotopes were studied experimentally as well as theoretically. In the experimental part new data on the 2palkali metal atoms with helium nanodroplets, a model calculation was performed. New helium density profiles as well as a refined model allowed us to achieve good agreement with the experimental findings. For the first time the red-shifted intensities in the lithium and sodium spectra are explained in terms of enhanced binding configurations in the excited state displaced spatially from the ground state configurations.

  5. Driving the atom by atomic fluorescence: Analytic results for the power and noise spectra

    OpenAIRE

    2000-01-01

    We study how the spectral properties of resonance fluorescence propagate through a two-atom system. Within the weak-driving-field approximation we find that, as we go from one atom to the next, the power spectrum exhibits both subnatural linewidth narrowing and large asymmetries while the noise spectrum of the squeezed quadrature narrows but remains otherwise unchanged. Analytical results for the observed spectral features of the fluorescence are provided and their origin is thoroughly discus...

  6. Absorption Spectra of a Three-Level Atom Embedded in a PBG Reservoir

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ke; ZHANG Han-Zhuang

    2007-01-01

    We introduce the 'decay rate' terms into the density matrix equations of an atom embedded in a photonic band gap (PSG)reservoir successfully.By utilizing the master equations,the probe absorption spectra and the refractivity properties of a three-level atom in the PBG reservoir are obtained.The interaction between the atom and the PBG reservoir as well as the effects of the quantum interference on the absorption of the atom has also been taken into account.It is interesting that two different types of the anomalous dispersion relations of refractivity are exhibited in one dispersion line.The methodology used here can be applied to theoretical investigation of quantum interference effects of other atomic models embedded in a PBG reservoir.

  7. Semiclassical Calculation of Recurrence Spectra of He Rydberg Atom in Strong External Fields

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua; DING Shi-Liang; LIN Sheng-Lu

    2004-01-01

    Using core-scattered closed-orbit theory and region-splitting iterative method, we calculated the scaled recurrence spectra of helium atom in parallel electric and magnetic fields. Closed orbits in the corresponding classical system have also been obtained. When we search the closed orbits, in order to remove the Coulomb singularity of the classical Hamiltonian motion equations, we implement the Kustaanheimo-Stiefel transformation, which transforms the system from a three-dimensional to a four-dimensional one. The Fourier transformed spectrum of helium atom has allowed direct comparison between peaks in such plot and the scaled action values of closed orbits. The results are compared with those of the hydrogen case, which shows that the core-scattered effects play an important role in the recurrence spectra of the multi-electron Rydberg atom.

  8. Stark spectra of Rydberg states in atomic cesium in the vicinity of n=18

    Institute of Scientific and Technical Information of China (English)

    Dong Hui-Jie; Wang Ting; Li Chang-Yong; Zhao Jian-Ming; Zhang Lin-Jie

    2013-01-01

    The Stark structures in a cesium atom around n =18 are numerically calculated.The results show that the components of 20D states with a small azimuthal quantum number |m| shift upward a lot,and those with a large |m| shift downward a little within 1100 V/cm.All components of P states shift downward.Experimental work has been performed in ultracold atomic cesium.Atoms initially in 6P3/2 state are excited to high-n Rydberg states by a polarization light perpendicular to the field,and Stark spectra with 丨m丨=1/2,3/2,5/2 are simultaneously observed with a large linewidth for the first time.The observed spectra are analyzed in detail.The relative transition probability is calculated.The experimental results are in good agreement with our numerical computation.

  9. Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX

    Science.gov (United States)

    Fuselier, S. A.; Allegrini, F.; Bzowski, M.; Funsten, H. O.; Ghielmetti, A. G.; Gloeckler, G.; Heirtzler, D.; Janzen, P.; Kubiak, M.; Kucharek, H.; McComas, D. J.; Moebius, E.; Moore, T. E.; Petrinec, S. M.; Quinn, M.; Reisenfeld, D.; Saul, L. A.; Scheer, J. A.; Schwardron, N.; Trattner, K. J.; Vanderspek, R.; Wurz, P.

    2012-01-01

    Since 2008 December, the Interstellar Boundary Explorer (IBEX) has been making detailed observations of neutrals from the boundaries of the heliosphere using two neutral atom cameras with overlapping energy ranges. The unexpected, yet defining feature discovered by IBEX is a Ribbon that extends over the energy range from about 0.2 to 6 keV. This Ribbon is superposed on a more uniform, globally distributed heliospheric neutral population. With some important exceptions, the focus of early IBEX studies has been on neutral atoms with energies greater than approx. 0.5 keV. With nearly three years of science observations, enough low-energy neutral atom measurements have been accumulated to extend IBEX observations to energies less than approx. 0.5 keV. Using the energy overlap of the sensors to identify and remove backgrounds, energy spectra over the entire IBEX energy range are produced. However, contributions by interstellar neutrals to the energy spectrum below 0.2 keV may not be completely removed. Compared with spectra at higher energies, neutral atom spectra at lower energies do not vary much from location to location in the sky, including in the direction of the IBEX Ribbon. Neutral fluxes are used to show that low energy ions contribute approximately the same thermal pressure as higher energy ions in the heliosheath. However, contributions to the dynamic pressure are very high unless there is, for example, turbulence in the heliosheath with fluctuations of the order of 50-100 km/s.

  10. Investigation of Linear Tetra-Atomic Negative Ion by Photodetached-Electron Spectra

    Institute of Scientific and Technical Information of China (English)

    A.Rahman; Iftikhar Ahmad; A.Afaq; M.Haneef; H.J.Zhao

    2011-01-01

    @@ Photodetachment spectra from a linear tetra-atomic negative ion is investigated by treating the detached-electron wave function quantum mechanically.A plane polarized laser light, perpendicular to the axis of the ion, is used to detach the electron from the ion.Analytical expressions for the electron flux and total photodetachment cross section are derived.The electron flux on screen shows strong-energy-dependent oscillations with different frequencies.The total cross section of the tetra-atomic negative ion reduces the cross section of mono-atomic,diatomic and triatomic negative ions for high energy photons, while for low energy photons it becomes four times the cross section of mono-atomic negative ions.

  11. Quantum Spectra of Hydrogen Atoms in Various Magnetic Fields with the Closed Orbit Theory

    Institute of Scientific and Technical Information of China (English)

    彭良友; 张现周; 饶建国

    2002-01-01

    The quantum spectra of hydrogen atoms in various magnetic fields have been calculated with the closed orbit theory. The magnitude of the magnetic field decreases from 5.96 T to 0.56 T with a step of 0. 6 T. We demonstrate schematically that the closed orbits disappear with the decrease of the magnitude of the magnetic field when the corresponding finite resolution of experiment is fixed. This may give us a good way to control the shape and the number of the closed orbits in the system, and thus to control where a peak should exist in the Fourier transformation of the quantum spectra.

  12. Atomic physics modeling of transmission spectra of Sc-doped aerogel foams to support OMEGA experiments

    Science.gov (United States)

    Johns, H. M.; Lanier, N. E.; Kline, J. L.; Fontes, C. J.; Perry, T. S.; Fryer, C. L.; Brown, C. R. D.; Morton, J. W.; Hager, J. D.; Sherrill, M. E.

    2016-11-01

    We present synthetic transmission spectra generated with PrismSPECT utilizing both the ATBASE model and the Los Alamos opacity library (OPLIB) to evaluate whether an alternative choice in atomic data will impact modeling of experimental data from radiation transport experiments using Sc-doped aerogel foams (ScSi6O12 at 75 mg/cm3 density). We have determined that in the 50-200 eV Te range there is a significant difference in the 1s-3p spectra, especially below 100 eV, and for Te = 200 eV above 5000 eV in photon energy. Examining synthetic spectra generated using OPLIB with 300 resolving power reveals spectral sensitivity to Te changes of ˜3 eV.

  13. Interferences in Photodetached Electron Spectra from a Linear Tetra-Atomic Negative Ion

    Institute of Scientific and Technical Information of China (English)

    A. Rahman; Iftikhar Ahmad; A. Afaq; M. Haneef

    2011-01-01

    Photo-detached electron spectra from a hypothetical linear tetra-atomic negative ion is obtained. A plane polarized laser parallel to the axis of the molecular ion is used to knock off the loosely bound electron. The spectrum of the detached-electron flux shows strong interference peaks, while the number of peaks increases with the increase in the photon energy. Strong osciJJations are also observed in the total photodetachment cross section spectrum. The frequency of the oscillations increases with the increase in the distance between the successive atoms d in the linear chain. These quantum interference effects vanish for very large d or very high photon energy.%@@ Photo-detached electron spectra from a hypothetical linear tetra-atomic negative ion is obtained.A plane polar- ized laser parallel to the axis of the molecular ion is used to knock off the loosely bound electron.The spectrum of the detached-electron flux shows strong interference peaks, while the number of peaks increases with the increase in the photon energy.Strong oscillations are also observed in the total photodetachment cross section spectrum.The frequency of the oscillations increases with the increase in the distance between the successive atoms d in the linear chain.These quantum interference effects vanish for very large d or very high photon energy.

  14. Lyapunov spectra and conjugate-pairing rule for confined atomic fluids.

    Science.gov (United States)

    Bernardi, Stefano; Todd, B D; Hansen, J S; Searles, Debra J; Frascoli, Federico

    2010-06-28

    In this work we present nonequilibrium molecular dynamics simulation results for the Lyapunov spectra of atomic fluids confined in narrow channels of the order of a few atomic diameters. We show the effect that realistic walls have on the Lyapunov spectra. All the degrees of freedom of the confined system have been considered. Two different types of flow have been simulated: planar Couette flow and planar Poiseuille flow. Several studies exist on the former for homogeneous flows, so a direct comparison with previous results is performed. An important outcome of this work is the demonstration of how the spectrum reflects the presence of two different dynamics in the system: one for the unthermostatted fluid atoms and the other one for the thermostatted and tethered wall atoms. In particular the Lyapunov spectrum of the whole system does not satisfy the conjugate-pairing rule. Two regions are instead distinguishable, one with negative pairs' sum and one with a sum close to zero. To locate the different contributions to the spectrum of the system, we computed "approximate" Lyapunov exponents belonging to the phase space generated by the thermostatted area and the unthermostatted area alone. To achieve this, we evolved Lyapunov vectors projected into a reduced dimensional phase space. We finally observe that the phase-space compression due to the thermostat remains confined into the wall region and does not significantly affect the purely Newtonian fluid region.

  15. Semiclassical Calculation of Recurrence Spectra of Rydberg Hydrogen Atom Near a Metal Surface

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua

    2009-01-01

    Using closed orbit theory, we give a clear physical picture description of the Rydberg hydrogen atom near a metal surface and calculate the Fourier transformed recurrence spectra of this system at different scaled energies below ionization threshold.The results show that with the increase of the scaled energy, the number of the closed orbit increases greatly.Some of the orbits are created by the bifurcation of the perpendicular orbit.This case is quite similar to the Rydberg atom in an electric field.When the scaled energy increases furthermore, chaotic orbits appear.This study provides a different perspective on the dynamical behavior of the Rydberg atom near a metal surface.

  16. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    Energy Technology Data Exchange (ETDEWEB)

    Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Ricca, Alessandra, E-mail: Charles.W.Bauschlicher@nasa.gov, E-mail: Alessandra.Ricca-1@nasa.gov [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Mountain View, CA 94043 (United States)

    2013-10-20

    The loss of one hydrogen from C{sub 96}H{sub 24} does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare.

  17. Electron momentum distributions and photoelectron spectra of atoms driven by intense spatially inhomogeneous field

    CERN Document Server

    Ciappina, M F; Shaaran, T; Roso, L; Lewenstein, M

    2013-01-01

    We use three dimensional time-dependent Schr\\"odinger equation (3D--TDSE) to calculate angular electron momentum distributions and photoelectron spectra of atoms driven by spatially inhomogeneous fields. An example for such inhomogeneous fields is the locally enhanced field induced by resonant plasmons, appearing at surfaces of metallic nanoparticles, nanotips and gold bow-tie shape nanostructures. Our studies show that the inhomogeneity of the laser electric field plays an important role in the above threshold ionization process in the tunneling regime, causing significant modifications to the electron momentum distributions and photoelectron spectra, while its effects in the multiphoton regime appear to be negligible. Indeed, through tunneling ATI process, one can obtain higher energy electrons as well as high degree of asymmetry in the momentum space map. In this study we consider near infrared laser fields with intensities in the mid-$10^{14}$ W/cm$^{2}$ range and we use linear approximation to describe t...

  18. Contribution of forbidden orbits in the photoabsorption spectra of atoms and molecules in a magnetic field

    Science.gov (United States)

    Matzkin, A.; Dando, P. A.; Monteiro, T. S.

    2003-02-01

    In a previous work [Phys. Rev. A 66, 013410 (2002)], we noted a partial disagreement between quantum R matrix and semiclassical calculations of photoabsorption spectra of molecules in a magnetic field. We show that this disagreement is due to a nonvanishing contribution of processes, which are forbidden according to the usual semiclassical formalism. Formulas to include these processes are obtained by using a refined stationary phase approximation. The resulting higher order in ħ contributions also account for previously unexplained “recurrences without closed orbits.” Quantum and semiclassical photoabsorption spectra for Rydberg atoms and molecules in a magnetic field are calculated and compared to assess the validity of the first-order forbidden orbit contributions.

  19. Contribution of forbidden orbits in the photoabsorption spectra of atoms and molecules in a magnetic field

    CERN Document Server

    Matzkin, A; Monteiro, T S

    2003-01-01

    In a previous work [Phys. Rev. A \\textbf{66}, 0134XX (2002)] we noted a partial disagreement between quantum R-matrix and semiclassical calculations of photoabsorption spectra of molecules in a magnetic field. We show this disagreement is due to a non-vanishing contribution of processes which are forbidden according to the usual semiclassical formalism. Formulas to include these processes are obtained by using a refined stationary phase approximation. The resulting higher order in $\\hbar$ contributions also account for previously unexplained ``recurrences without closed-orbits''. Quantum and semiclassical photoabsorption spectra for Rydberg atoms and molecules in a magnetic field are calculated and compared to assess the validity of the first-order forbidden orbit contributions.

  20. Rotational spectra of N$_2^+$: An advanced undergraduate laboratory in atomic and molecular spectroscopy

    CERN Document Server

    Bayram, S B; Arndt, P T

    2015-01-01

    We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary discharge tube. The simple setup and analytical procedure is introduced as part of a sequence of educational experiments employed by a course of advanced atomic and molecular spectroscopy, where the study of rotational spectra is combined with the analysis of vibrational characteristics for a multifaceted picture of the quantum states of diatomic molecules.

  1. Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation

    Science.gov (United States)

    Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín

    2016-01-01

    Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two…

  2. Time-resolved Absorption Spectra of the Laser-dressed Hydrogen Atom

    Science.gov (United States)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-05-01

    A theoretical study of the transient absorption spectra for the laser-dressed hydrogen atom based on the accurate numerical solution of the time-dependent Schrödinger equation is presented. The timing of absorption is controlled by the time delay between an isolated extreme ultraviolet (XUV) pulse and a dressing infrared (IR) field. We identify two different kinds of physical processes in the spectra. One is the formation of dressed states, signified by the appearance of sidebands between the XUV absorption lines separated by one IR-photon energy. We show that their population is maximized when the XUV pulse coincides with the zero-crossing of the IR field, and that their energy can be manipulated by using a chirped IR field. The other process is the dynamical AC Stark shift induced by the IR field and probed by the XUV pulse. Our calculations indicate that the accidental degeneracy of the hydrogen atom leads to the multiple splittings of each XUV absorption line whose separations change in response to a slowly-varying IR envelope. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 states using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional 3-level model that neglects the dynamical AC Stark effects.

  3. Controlling residual hydrogen gas in mass spectra during pulsed laser atom probe tomography.

    Science.gov (United States)

    Kolli, R Prakash

    2017-01-01

    Residual hydrogen (H2) gas in the analysis chamber of an atom probe instrument limits the ability to measure H concentration in metals and alloys. Measuring H concentration would permit quantification of important physical phenomena, such as hydrogen embrittlement, corrosion, hydrogen trapping, and grain boundary segregation. Increased insight into the behavior of residual H2 gas on the specimen tip surface in atom probe instruments could help reduce these limitations. The influence of user-selected experimental parameters on the field adsorption and desorption of residual H2 gas on nominally pure copper (Cu) was studied during ultraviolet pulsed laser atom probe tomography. The results indicate that the total residual hydrogen concentration, HTOT, in the mass spectra exhibits a generally decreasing trend with increasing laser pulse energy and increasing laser pulse frequency. Second-order interaction effects are also important. The pulse energy has the greatest influence on the quantity HTOT, which is consistently less than 0.1 at.% at a value of 80 pJ.

  4. Atomic structure of icosahedral B4C boron carbide from a first principles analysis of NMR spectra.

    Science.gov (United States)

    Mauri, F; Vast, N; Pickard, C J

    2001-08-20

    Density functional theory is demonstrated to reproduce the 13C and 11B NMR chemical shifts of icosahedral boron carbides with sufficient accuracy to extract previously unresolved structural information from experimental NMR spectra. B4C can be viewed as an arrangement of 3-atom linear chains and 12-atom icosahedra. According to our results, all the chains have a CBC structure. Most of the icosahedra have a B11C structure with the C atom placed in a polar site, and a few percent have a B (12) structure or a B10C2 structure with the two C atoms placed in two antipodal polar sites.

  5. Harmonic Inversion of Recurrence Spectra of Nonhydrogen Atom in an Electric Field

    Institute of Scientific and Technical Information of China (English)

    LIU Fu-Sui; GAO Song; CHEN Wan-Fang; XU Xue-You; LI Hong-Yun; ZHANG Yan-Hui; LIN Sheng-Lu

    2008-01-01

    An extended harmonic inversion method is analytically continued to approach bifurcation region of the closed orbits thus to obtain highly resolved spectra of lithium atom in external field. The suitable band-limited signal is generated by a semiclassical uniform approximation. By decimating the selected signal window and solving the algebraic set of nonlinear equations the quantum eigenvalues are properly fitted, which reveal the fine resonance structure hidden in low resolution spectrum. The study is made at the scaled energy ∈= -2.7, relevant bifurcation effects and core-scattered impacts have to be taken into account. It is demonstrated that the present method is a useful technique for the semielassical quantization of system with mixed regular-chaotic classical dynamics.

  6. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  7. Measurements of atomic parameters of highly charged ions for interpreting astrophysical spectra

    Energy Technology Data Exchange (ETDEWEB)

    Brown, G.V.; Beiersdorfer, P.; Utter, S.B. [Lawrence Livermore National Lab., CA (United States); Boyce, K.R.; Gendreau, K.C.; Kelley, R.; Porter, F.S. [National Aeronautics and Space Administration, Greenbelt, MD (United States). Goddard Space Flight Center; Gu, M.F.; Kahn, S.M.; Savin, D.W. [Columbia Univ., New York, NY (United States); Gygax, J. [Swales and Associates, Beltsville, MD (United States)

    2001-07-01

    High-resolution X-ray spectra obtained by the Chandra X-ray Observatory and the X-ray Multi-Mirror Mission put new demands on atomic data including line positions, excitation cross sections, and radiative rates of cosmically-abundant highly-charged ions. To address this need, we are performing measurements of the line emission from ions of cosmically abundant elements. The data are obtained at the LLNL Electron Beam Ion Trap and focus on cross sections for electron-impact excitation, dielectronic recombination, and resonance excitation as well as atomic structure measurements. We find that ratios of the electron-impact excitation cross sections of singlet and triplet levels are systematically different from the calculated values in the case of many highly charged ions. This, for example, has a profound impact on inferring optical depths from solar and stellar atmospheres. Moreover, new line identifications are presented that resolve some long-standing puzzles in the interpretation of solar data, and the importance of resonance contributions to the spectral emission is assessed. (orig.)

  8. 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.

  9. Autler-Townes doublet in the absorption spectra for the transition between excited states of cold cesium atoms

    Institute of Scientific and Technical Information of China (English)

    Liang Qiang-Bing; Yang Bao-Dong; Yang Jian-Feng; Zhang Tian-Cai; Wang Jun-Min

    2010-01-01

    Autler-Townes splitting in absorption spectra of the excited states 6 2P3/2 - 82S1/2 of cold cesium atoms confined in a magneto-optical trap has been observed.Experimental data of the Autler-Townes splitting fit well to the dressedatom theory,by which the fact of the cold atoms dressed by cooling/trapping laser beams is revealed.The results of the theoretical fitting with experiment not only told us the effective Rabi frequency cold atoms experienced,but also could be used for measuring the probability amplitudes of the dressed states.

  10. Displacement cross sections and PKA spectra: tables and applications. [Neutron damage energy cross sections to 20 MeV, primary knockon atom spectra to 15 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Doran, D G; Graves, N J

    1976-12-01

    Damage energy cross sections to 20 MeV are given for aluminum, vanadium, chromium, iron, nickel, copper, zirconium, niobium, molybdenum, tantalum, tungsten, lead, and 18Cr10Ni stainless steel. They are based on ENDF/B-IV nuclear data and the Lindhard energy partition model. Primary knockon atom (PKA) spectra are given for aluminum, iron, niobium, tantalum, and lead for neutron energies up to 15 MeV at approximately one-quarter lethargy intervals. The contributions of various reactions to both the displacement cross sections (taken to be proportional to the damage energy cross sections) and the PKA spectra are presented graphically. Spectral-averaged values of the displacement cross sections are given for several spectra, including approximate maps for the Experimental Breeder Reactor-II (EBR-II) and several positions in the Fast Test Reactor (FTR). Flux values are included to permit estimation of displacement rates. Graphs show integral PKA spectra for the five metals listed above for neutron spectra corresponding to locations in the EBR-II, the High Flux Isotope Reactor (HFIR), and a conceptual fusion reactor (UWMAK-I). Detailed calculations are given only for cases not previously documented. Uncertainty estimates are included.

  11. Identifying student and teacher difficulties in interpreting atomic spectra using a quantum model of emission and absorption of radiation

    Science.gov (United States)

    Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín

    2016-06-01

    Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two questionnaires, one for teachers and the other for students. By analyzing the responses, we conclude that (i) teachers lack a quantum model for the emission and absorption of electromagnetic radiation capable of explaining the spectra, (ii) teachers and students share the same difficulties, and (iii) these difficulties concern the model of the atom, the model of radiation, and the model of the interaction between them.

  12. Position Dependent Spontaneous Emission Spectra of a A-Type Atomic System Embedded in a Defective Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    S. Roshan Entezar

    2012-01-01

    We investigate the position dependent spontaneous emission spectra of a A-type three-level atom with one transition coupled to the free vacuum reservoir and the other one coupled to a double-band photonic band gap reservoir with a defect mode in the band gap. It is shown that, for the atom at the defect location, we have a two-peak spectrum with a wide dark line due to the strong coupling between the atom and the defect mode. While, when the atom is far from the defect location (or in the absence of the defect mode), the spectrum has three peaks with two dark lines due to the coupling between the atom and the photonic band gap reservoir with the largest density of states near the band edges. On the other hand, we have a four-peak spectrum for the atom at the space in between. Moreover, the average spontaneous emission spectra of the atoms uniformly embedded in high dielectric or low dielectric regions are described. It is shown that the atoms embedded in high (low) dielectric regions far from the defect location, effectively couple to the modes of the lower (upper) photonic band. However, the atoms embedded in high dielectric or low dielectric regions at the defect location, are coupled mainly to the defect modes. While, the atoms uniformly embedded in high (low) dielectric regions with a normal distance from the defect location, are coupled to both of defect and lower (upper) photonic band modes.

  13. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

    Science.gov (United States)

    Rittenhouse, Robert C.

    2015-01-01

    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  14. Consistency of atomic data for the interpretation of beam emission spectra

    Energy Technology Data Exchange (ETDEWEB)

    Delabie, E; Von Hellermann, M G [FOM Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Brix, M; Giroud, C; Surrey, E; Zastrow, K D [EURATOM/CCFE Association, Culham Science Centre, Abingdon, OX14 3DB (United Kingdom); Jaspers, R J E [Eindhoven University of Technology, Postbus 513, 5600 MB Eindhoven (Netherlands); Marchuk, O [Forschungszentrum Juelich, Association EURATOM-FZJ, 52425, Juelich (Germany); O' Mullane, M G [Department of Physics, University of Strathclyde, 107 Rottenrow, Glasgow G4 0NG (United Kingdom); Ralchenko, Yu, E-mail: e.delabie@fz-juelich.d [Atomic Physics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8422 (United States)

    2010-12-15

    Several collisional-radiative (CR) models (Anderson et al 2000 Plasma Phys. Control. Fusion 42 781-806, Hutchinson 2002 Plasma Phys. Control. Fusion 44 71-82, Marchuk et al 2008 Rev. Sci. Instrum. 79 10F532) have been developed to calculate the attenuation and the population of excited states of hydrogen or deuterium beams injected into tokamak plasmas. The datasets generated by these CR models are needed for the modelling of beam ion deposition and (excited) beam densities in current experiments, and the reliability of these data will be crucial to obtain helium ash densities on ITER combining charge exchange and beam emission spectroscopy. Good agreement between the different CR models for the neutral beam (NB) is found, if corrections to the fundamental cross sections are taken into account. First the H{sub {alpha}} and H{sub {beta}} beam emission spectra from JET are compared with the expected intensities. Second, the line ratios within the Stark multiplet are compared with the predictions of a sublevel resolved model. The measured intensity of the full multiplet is {approx}30% lower than expected on the basis of beam attenuation codes and the updated beam emission rates, but apart from the atomic data this could also be due to the characterization of the NB path and line of sight integration and the absolute calibration of the optics. The modelled n = 3 to n = 4 population agrees very well with the ratio of the measured H{sub {alpha}} to H{sub {beta}} beam emission intensities. Good agreement is found as well between the NB power fractions measured with beam emission in plasma and on the JET Neutral Beam Test Bed. The Stark line ratios and {sigma}/{pi} intensity ratio deviate from a statistical distribution, in agreement with the CR model in parabolic states from Marchuk et al (2010 J. Phys. B: At. Mol. Opt. Phys. 43 011002).

  15. The closed-orbit and the photoabsorption spectra of the Rydberg hydrogen atom between two parallel metallic surfaces

    Institute of Scientific and Technical Information of China (English)

    Wang De-Hua

    2007-01-01

    Using the closed orbit theory,we study the classical motion and calculate the photoabsorption spectra of Rydberg hydrogen atom between two parallel metallic surfaces.The results show that the metallic surfaces have a significant effect on the photoabsorption process.When the distances between the hydrogen atom and the two metallic surfaces are close to a critical value dc,the number of the closed orbits is the greatest.When the distance larger or smaller than dc,the number of the closed orbits decreases and the absorption spectra are shown to exhibit a damping oscillation.This work is an interesting new application of closed-orbit theory and is of potential experimental interest.

  16. Short-ranged potential effects on the recurrence spectra of lithium M = 1 atoms in parallel electric and magnetic fields

    Institute of Scientific and Technical Information of China (English)

    Wang Wen-Peng; Li Hong-Yun; Wang Shu-Bao; Lin Sheng-Lu

    2008-01-01

    This paper presents recurrence spectra of highly excited lithium atoms with M = 1 state in parallel electric and magnetic fields at a fixed scaled energy ε = -0.03. Short-ranged potentials including ionic core potential and centrifugal barrier are taken into account. Their effects on the states and photo-absorption spectrum are analysed in detail. This demonstrates that the geometric features of classical orbits are of special importance for modulations of the spectral pattern. Thus the weak polarization as well as the reduction of correlation of electrons induced by short-ranged potentials give rise to the recurrence spectra of lithium M = 1 atoms more compact than that of the M = 0 one, which is in good agreement with the experimental prediction.

  17. All-atom Molecular Dynamic Simulations and NMR Spectra Study on Intermolecular Interactions of N,N-dimethylacetamide-Water System

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Zai-you Tan; San-lai Luo

    2008-01-01

    N,N-dimethylacetamide (DMA) has been investigated extensively in studying models of peptide bonds. An all-atom MD simulation and the NMR spectra were performed to investigate the interactions in the DMA- water system. The radial distribution functions (RDFs) and the hydrogen-bonding network were used in MD simulations. There are strong hydrogen bonds and weak C-H…O contacts in the mixtures, as shown by the analysis of the RDFs. The insight structures in the DMA-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Chemical shifts of the hydrogen atom of water molecule with concentration and temperatures are adopted to study the interactions in the mixtures. The results of NMR spectra show good agreement with the statistical results of hydrogen bonds in MD simulations.

  18. Computer simulations on resonant fluorescence spectra in atomic gases in two monochromatic laser fields of arbitrary intensity and magnetic field

    Science.gov (United States)

    Karagodova, Tamara Y.

    1996-03-01

    In the intense radiation fields with power density from 104W/cm2 to 109W/cm2 the essential modification of electronic states of atoms occurs displaying, in particular, in modifications of resonant fluorescence (rf) spectra. We use 'Fermi golden rule' for calculations of relative intensities and frequencies for rf multiplet for real multilevel initially unexcited atoms in two monochromatic laser fields of arbitrary intensity resonant to adjacent transitions of (Xi) or (Lambda) types and magnetic field, giving the level splittings of different values from Zeeman to Paschen-Back effect. The dependence of quasienergies on parameters obtained with the help of a sorting program permits us to define the values of parameters for which the states of the system are mixed and so to receive the correct probability amplitudes for instantaneous or adiabatic regimes of switching the perturbation. The analysis of the quasienergies and form of rf spectra permits us to get relations between the form of the spectra and modifications of electronic structure of the atom due to radiation fields and external magnetic field.

  19. Extracting Closed Classical Orbits from Quantum Recurrence Spectra of a Non-Hydrogenic Atom in Parallel Electric and Magnetic Fields

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua; LIN Sheng-Lu

    2004-01-01

    @@ We show how to extract the closed orbits from the quantum spectra data. According to the closed orbit theory,each closed orbit produces a sharp peak in the recurrence spectra of a non-hydrogenic atom in parallel electric and magnetic fields. For a given initial state, closed-orbit theory gives the dependence of this recurrence amplitude on the initial angle of an orbit. By comparing the recurrence amplitude for different initial states, we can determine the initial angles of the closed classical orbits from the quantum recurrence spectra. Therefore, by integrating the Hamiltonian motion equations, we can obtain the closed orbits directly. This method can also be used to extract the closed orbits from the experimental data.

  20. Effect of positron-atom interactions on the annihilation gamma spectra of molecules

    CERN Document Server

    Green, D G; Wang, F; Gribakin, G F; Surko, C M

    2012-01-01

    Calculations of gamma spectra for positron annihilation on a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The annihilation gamma spectra characterise the momentum distribution of the electron-positron pair at the instant of annihilation. The contribution to the gamma spectra from individual molecular orbitals is obtained from electron momentum densities calculated using modern computational quantum chemistry density functional theory tools. The calculation, in its simplest form, effectively treats the low-energy (thermalised, room-temperature) positron as a plane wave and gives annihilation gamma spectra that are about 40% broader than experiment, although the main chemical trends are reproduced. We show that this effective "narrowing" of the experimental spectra is due to the action of the molecular potential on the positron, chiefly, due to the positron repulsion from the nuclei. It leads to a suppression of the contribution of smal...

  1. The Journey from Classical to Quantum Thinking: An Analysis of Student Understanding Through the Lens of Atomic Spectra

    Science.gov (United States)

    Rao, Sandhya Kolla

    This dissertation aims to explore how students think about atomic absorption and emission of light in the area of introductory quantum chemistry. In particular, the impact of classical ideas of electron position and energy on student understanding of spectra is studied. The analysis was undertaken to discover how student learning can be characterized along different dimensions of competence, and to determine the strength of the correlations between these dimensions. The research in this dissertation study comes from a set of semi-structured clinical interviews after a unit on quantum chemistry using a stratified random sample. Open-ended questions were asked on the topic of atomic spectra to a representative sample (N=65) of students from a large introductory chemistry class. Data was examined using elements of grounded theory. Three dimensions were found, Continuous to Discrete, Interpreting Spectra, and Energy/Force, that explain how student thinking about atomic spectra can be characterized. A fourth dimension, Deterministic to Probabilistic, had been discussed in the research before. Students who exhibited a mastery of discrete energy absorption predominantly were skilled with a difference reasoning, an understanding that the energy values of the spectral lines correlate to differences of energy levels. Students who successfully interpreted spectra did not necessarily have a probabilistic view of electron position, signaling that those two concepts, as least as they were assessed, do not strongly impact each other. Using grounded methods on ten student interviews, four main types of representation use and conceptual understanding in the topic of atomic spectra were discovered: Literal Reasoning, Threshold Reasoning, Exact Difference Reasoning, and Meta-Reasoning. Threshold reasoning was indicative of an influence of classical ideas of energy absorption, while Exact-Difference reasoning consisted of a full appreciation of the all or nothing discrete absorption

  2. Ab Initio Calculations of X-ray Spectra : Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes

    NARCIS (Netherlands)

    Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon; Foehlisch, Alexander; de Groot, Frank; Wernet, Philippe; Odelius, Michael

    2012-01-01

    A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic multiplet effects. We show here calculated L-edge X-ray absorption (XA) and resonant inelastic X-ray scattering spectra fo

  3. Infrared spectra of the ethynyl metal hydrides produced in reactions of laser-ablated Mn and Re atoms with acetylene.

    Science.gov (United States)

    Cho, Han-Gook; Andrews, Lester

    2011-05-19

    The ethynyl metal hydride molecules (HM-C≡CH) are identified in the matrix infrared spectra from reactions of laser-ablated Mn and Re atoms with acetylene using D and (13)C isotopic substitution and density functional computed frequencies. The assignment of strong M-H as well as C≡C bond stretching product absorptions suggests oxidative C-H insertion during reagent codeposition and subsequent photolysis. The unique linear structure calculated for HMn-C≡CH is parallel to C(3v) structures found recently for Mn complexes including CH(3)-MnF.

  4. Corrigendum: "Extracting Closed Classical Orbits from Quantum Recurrence Spectra of a Non-Hydrogenic Atom in Parallel Electric and Magnetic Fields"

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hua

    2010-01-01

    @@ In a paper published by us,[1] we studied how to extract the closed orbit of the non-hydrogenic atom in parallel electric and magnetic fields. However, there was another paper published in 1996 by Courtney,[2] which studied the initial conditions of closed classical orbits from quantum spectra of hydrogen atom in magnetic field.

  5. Effects of Quantum Interference on the Profile of Excitation Spectra in the Atomic Sodium D1

    Institute of Scientific and Technical Information of China (English)

    LI Yongfang; ZHANG Xiangyang; SUN Jianfeng; ZHAO Yongmei; WANG Yongchang; ZHANG Yanliang; DING Liang’en; WANG Zugeng

    2002-01-01

    In this paper, an experiment in a sodium vapor cell with cw laser pumping is reported. Two dips in the excitation spectrum profile of the sodium \\$D1\\$ line are observed. Theoretically excitation spectra in the three-level system are calculated in detail and results are identical with experiments. It is demonstrated that the appearance of the two dips in the excitation spectrum is close connected with quantum interference effect.

  6. Hydrogen and muonic-Hydrogen Atomic Spectra in Non-commutative Space-Time

    CERN Document Server

    Haghighat, M

    2014-01-01

    Comparing electronic Hydrogen with muonic Hydrogen shows that the discrepancy in measurement of the Lamb shift in the both systems are relatively of order of $(\\frac{m_\\mu}{m_e})^{4-5}$. We explore the spectrum of Hydrogen atom in noncommutative $QED$ to compare the noncommutative effects on the both bound states. We show that in the Lorentz violating noncommutative QED the ratio of NC-corrections is $(\\frac{m_\\mu}{m_e})^3$ while in the Lorentz conserving NCQED is $(\\frac{m_\\mu}{m_e})^5$. An uncertainty about $1 \\,Hz\\ll 3\\,kHz$ in the Lamb shift of Hydrogen atom leads to an NC correction about $10 \\,MHz$ in the Lorentz violating noncommutative QED and about $400 \\,GHz$ in the Lorentz conserving noncommutative QED.

  7. Above-threshold ionization and photoelectron spectra in atomic systems driven by strong laser fields

    CERN Document Server

    Suárez, Noslen; Ciappina, Marcelo; Biegert, Jens; Lewenstein, Maciej

    2015-01-01

    Above-threshold ionization (ATI) results from strong field laser-matter interaction and it is one of the fundamental processes that may be used to extract electron structural and dynamical information about the atomic or molecular target. Moreover, it can also be used to characterize the laser field itself. Here, we develop an analytical description of ATI, which extends the theoretical Strong Field Approximation (SFA), for both the direct and re-scattering transition amplitudes in atoms. From a non-local, but separable potential, the bound-free dipole and the re-scattering transition matrix elements are analytically computed. In comparison with the standard approaches to the ATI process, our analytical derivation of the re-scattering matrix elements allows us to study directly how the re-scattering process depends on the atomic target and laser pulse features -we can turn on and off contributions having different physical origins or corresponding to different physical mechanisms. We compare SFA results with ...

  8. Molecular structure refinement by direct fitting of atomic coordinates to experimental ESR spectra

    CERN Document Server

    Charnock, G T P; Kuprov, Ilya

    2011-01-01

    An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin dynamics simulation algorithms and of the fact that the accuracy of quantum mechanical calculations of ESR parameters has improved to the point of quantitative correctness. Partial solutions are offered to the local minimum problem in spectral fitting and to the problem of spin interaction parameters (hyperfine couplings, chemical shifts, etc.) being very sensitive to distortions in molecular geometry.

  9. Research as a guide for curriculum development: An example from introductory spectroscopy. II. Addressing student difficulties with atomic emission spectra

    Science.gov (United States)

    Ivanjek, L.; Shaffer, P. S.; McDermott, L. C.; Planinic, M.; Veza, D.

    2015-02-01

    This is the second of two closely related articles (Paper I and Paper II) that together illustrate how research in physics education has helped guide the design of instruction that has proved effective in improving student understanding of atomic spectroscopy. Most of the more than 1000 students who participated in this four-year investigation were science majors enrolled in the introductory calculus-based physics course at the University of Washington (UW) in Seattle, WA, USA. The others included graduate and undergraduate teaching assistants at UW and physics majors in introductory and advanced physics courses at the University of Zagreb, Zagreb, Croatia. About half of the latter group were preservice high school physics teachers. Paper I describes how several conceptual and reasoning difficulties were identified among university students as they tried to relate a discrete line spectrum to the energy levels of atoms in a light source. This second article (Paper II) illustrates how findings from this research informed the development of a tutorial that led to improvement in student understanding of atomic emission spectra.

  10. Research as a guide for curriculum development: An example from introductory spectroscopy. I. Identifying student difficulties with atomic emission spectra

    Science.gov (United States)

    Ivanjek, L.; Shaffer, P. S.; McDermott, L. C.; Planinic, M.; Veza, D.

    2015-01-01

    This is the first of two closely related articles (Paper I and Paper II) that together illustrate how research in physics education has helped guide the design of instruction that has proved effective in improving student understanding of atomic spectroscopy. Most of the more than 1000 students who participated in this four-year investigation were science majors enrolled in the introductory calculus-based physics course at the University of Washington (UW) in Seattle, WA, USA. The others included graduate and undergraduate teaching assistants at UW and physics majors in introductory and advanced physics courses at the University of Zagreb, Zagreb, Croatia. About half of the latter group were preservice high school physics teachers. This article (Paper I) describes how several serious conceptual and reasoning difficulties were identified among students as they tried to relate a discrete line spectrum to the energy levels of atoms in a light source. Paper II illustrates how findings from this research informed the development of a tutorial that led to significant improvement in student understanding of atomic emission spectra.

  11. Fingerprints of exceptional points in the survival probability of resonances in atomic spectra

    CERN Document Server

    Cartarius, Holger

    2011-01-01

    The unique time signature of the survival probability exactly at the exceptional point parameters is studied here for the hydrogen atom in strong static magnetic and electric fields. We show that indeed the survival probability S(t)=||^2 decays exactly as |1-a*t|^2 e^(-Gamma_EP*t/hbar) where Gamma_EP is associated with the decay rate at the exceptional point and a is a complex constant depending solely on the initial wave packet that populates exclusively the two almost degenerate states of the non-Hermitian Hamiltonian. This may open the possibility for a first experimental detection of exceptional points in a quantum system.

  12. Universal Two-Body Spectra of Ultracold Harmonically Trapped Atoms in Two and Three Dimensions

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas

    2012-01-01

    We consider the spectrum of two ultracold harmonically trapped atoms interacting via short-range interactions. The Green's function approach is used to unify the two and three dimensional cases. We derive criteria for the universality of the spectrum, i.e. its independence of the details...... experimentally available. In the two-dimensional case we discuss the p-wave channel in detail and demonstrate how the non-universality of the spectrum arises within the Green's function approach. We then show that the spectrum is not particularly sensitive to the short-distance details in the case when the two...

  13. Temperature dependence of viscosity and density of viscous liquids determined from thermal noise spectra of uncalibrated atomic force microscope cantilevers.

    Science.gov (United States)

    McLoughlin, Neal; Lee, Stephen L; Hähner, Georg

    2007-08-01

    We demonstrate that the thermal response of uncalibrated atomic force microscope cantilevers can be used to extract the density and the viscosity of viscous liquids with good accuracy. Temperature dependent thermal noise spectra were measured in water/poly(ethylene glycol) mixtures. Empirical parameters characteristic of the resonance behavior of the system were extracted from data recorded for one of the solutions at room temperature. These parameters were then employed to determine both viscosity and density values of the solutions simultaneously at different temperatures. In addition, activation energies for viscous flow were determined from the viscosity values obtained. The method presented is both fast and reliable and has the potential to be applied in connection with microfluidic systems, making macroscopic amounts of liquid and separate measurements with a viscometer and a densimeter redundant.

  14. NLTE analysis of Sr lines in spectra of late-type stars with new R-matrix atomic data

    CERN Document Server

    Bergemann, M; Bautista, M; Ruchti, G

    2012-01-01

    We investigate statistical equilibrium of neutral and singly-ionized strontium in late-type stellar atmospheres. Particular attention is given to the completeness of the model atom, which includes new energy levels, transition probabilities, photoionization and electron-impact excitation cross-sections computed with the R-matrix method. The NLTE model is applied to the analysis of Sr I and Sr II lines in the spectra of the Sun, Procyon, Arcturus, and HD 122563, showing a significant improvement in the ionization balance compared to LTE line formation calculations, which predict abundance discrepancies of up to 0.5 dex. The solar Sr abundance is log A = 2.93 \\pm 0.04 dex, in agreement with the meteorites. A grid of NLTE abundance corrections for Sr I and Sr II lines covering a large range of stellar parameters is presented.

  15. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra.

    Science.gov (United States)

    Goings, Joshua J; Li, Xiaosong

    2016-06-21

    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

  16. Single- and double-slit collimating effects on fast-atom diffraction spectra

    Science.gov (United States)

    Gravielle, M. S.; Miraglia, J. E.

    2016-09-01

    Diffraction patterns produced by fast He atoms grazingly impinging on a LiF(0 0 1) surface are investigated focusing on the influence of the beam collimation. Single- and double-slit collimating devices situated in front of the beam source are considered. To describe the scattering process we use the Surface Initial Value Representation (SIVR) approximation, which is a semi-quantum approach that incorporates a realistic description of the initial wave packet in terms of the collimating parameters. Our initial wave-packet model is based on the Van Cittert-Zernike theorem. For a single-slit collimation the width of the collimating aperture controls the shape of the azimuthal angle distribution, making different interference mechanisms visible, while the length of the slit affects the polar angle distribution. Additionally, we found that by means of a double-slit collimation it might be possible to obtain a wide polar angle distribution, which is associated with a large spread of the initial momentum perpendicular to the surface, derived from the uncertainty principle. It might be used as a simple way to probe the surface potential for different normal energies.

  17. Classical Monopoles Newton, NUT-space, gravomagnetic lensing and atomic spectra

    CERN Document Server

    Lynden-Bell, Donald; Lynden-Bell, Donald; Nouri-Zonoz, Mohammad

    1996-01-01

    Stimulated by a scholium in Newton's Principia we find some beautiful results in classical mechanics which can be interpreted in terms of the orbits in the field of a mass endowed with a gravomagnetic monopole. All the orbits lie on cones! When the cones are slit open and flattened the orbits are exactly the ellipses and hyperbolae that one would have obtained without the gravomagnetic monopole. The beauty and simplicity of these results has led us to explore the similar problems in Atomic Physics when the nuclei have an added Dirac magnetic monopole. These problems have been explored by others and we sketch the derivations and give details of the predicted spectrum of monopolar hydrogen. Finally we return to gravomagnetic monopoles in general relativity. We explain why NUT space has a non-spherical metric although NUT space itself is the spherical space-time of a mass with a gravomagnetic monopole. We demonstrate that all geodesics in NUT space lie on cones and use this result to study the gravitational lens...

  18. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

    Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what

  19. Analysis of the near-resonant fluorescence spectra of a single rubidium atom localized in a three-dimensional optical lattice

    CERN Document Server

    Kim, Wookrae; Kim, Jung-Ryul; Lee, Yea-Lee; Ihm, Jisoon; An, Kyungwon

    2010-01-01

    Supplementary information is presented on the recent work by W. Kim et al. on the matter-wave-tunneling-induced broadening in the near-resonant spectra of a single rubidium atom localized in a three-dimensional optical lattice in a strong Lamb-Dicke regime.

  20. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; García Lastra, Juan Maria; Lopez, M. J.

    2010-01-01

    the optical properties according to specific functionality targets. The differences in the spectra could be used to identify relative abundances of isomers with different spins in experimental studies. As a salient feature, this theoretical spectroscopic analysis predicts the metallization of the infinite (Ti......The optical spectra of sandwich clusters formed by transition metal atoms (titanium, vanadium, and chromium) intercalated between parallel benzene molecules have been studied by time-dependent density functional theory (TDDFT) and many-body perturbation theory. Sandwiches with different number...... of layers, including infinite chains, are considered. The lowest excitation energy peaks in the spectra are characteristic of the robust bonding in these complexes. The excitation energies vary in a systematic way with the metal atoms and with the cluster size, and so these materials could be used to tune...

  1. [Investigation of determining strontium in M. nitida Benth. var. hirsutissima. Z. Wei. by flame atomic absorption spectra].

    Science.gov (United States)

    Zhang, Ling; Rao, Zhi-Jun; Guan, Yuan-Yuan; Zhang, Hai-Ming

    2010-12-01

    The present paper is aimed to establish the method of determining the strontium in M. nitida Benth. var. hirsutissima. Z. Wei. by means of air-acetylene flame atomic absorption spectra, and also provide reference for the determination of the strontium in other traditional Chinese medicine. M. Nitida Benthvarhirsutissima Z. Wei. was taken as the object. The authors used nitric-perchloric acid as digestion solution to digest samples by microwave which was controlled by pressure, and used EDTA-2Na as the releasing agent to add in the samples for determining the strontium in M. nitida Benth. var. hirsutissima. Z. Wei. by FAAS. The results showed that the samples were entirely digested by microwave. The working curve was Y = 0.036 5x -0.001 1, r = 0.999 4, the range was 0-1.6 microg x mL(-1), the average recovery rate was 101.5% with RSD 2.04%, and the method detection limit was 0.008 2 microg x mL(-1) (n = 21). It is concluded that this method is simple and accurate. It has high sensitivity and can be effectively used for determining the strontium in this traditional Chinese medicine.

  2. Correlation and relativistic effects in 2p photoelectron spectra of sodium atoms from the initial state 2{p}^{6}3p

    Science.gov (United States)

    Liu, Xiaobin; Shi, Yinglong; Xing, Yongzhong; Lu, Feiping; Chen, Zhanbin

    2017-02-01

    We investigate the 2p photoelectron spectra of sodium atoms with the initial state 2{p}63p at a photon energy of 54 eV. The analysis is performed based on the multi-configuration Dirac–Fock method. Special attention is given to the influences of correlation and relativistic effects on the spectra structures. To explore the nature and importance of such influences, calculations were performed based on detailed analyses of the thresholds, relative intensities and corresponding data calculated in the nonrelativistic limit.

  3. Study of X-Ray and $\\gamma$-Ray Spectra from Antiprotonic Atoms at the Slowly Extracted Antiproton Beam of LEAR

    CERN Multimedia

    2002-01-01

    This experiment will study the X-ray spectra of antiprotonic atoms and the $\\gamma$ spectra of residual nuclei after the antiproton absorption. We intend to begin with measurements on selected isotopically pure targets. Strong interaction effects, the antiproton absorption and the atomic cascade are analysed through the measurement of energies, lineshapes, relative and absolute intensities of all observable lines. The experiments are continued to determine st in resolved fine structure levels and in different isotopes of the same element. Coincidence techniques may be applied. All components of the experimental set-up are already existing from previous experiments and we could begin the measurements with any slowly extracted beam of low energy at LEAR.

  4. Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex

    Science.gov (United States)

    Téllez S., Claudio A.; Costa, Anilton C.; Mondragón, M. A.; Ferreira, Glaucio B.; Versiane, O.; Rangel, J. L.; Lima, G. Müller; Martin, A. A.

    2016-12-01

    Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spectra and band deconvolution analysis. The UV-vis experimental spectra were measured in acetonitrile solution, and the calculated electronic spectrum was obtained using the TD/B3LYP method with 6-311G(d, p) basis set for all atoms. Charge transfer bands and those d-d spin forbidden were assigned in the UV-vis spectrum. The natural bond orbital analysis was carried out using the DFT/B3LYP method and the Mn(II) hybridization leading to the planar geometry of the framework was discussed. Surface enhanced Raman scattering (SERS) was also performed. Mulliken charges of the normal modes were obtained and related to the SERS enhanced bands.

  5. The Complex Core Level Spectra of CeO2: An Analysis in Terms of Atomic and Charge Transfer Effects

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S; Nelin, Constance J; Ilton, Eugene S; Baron, Martin; Abbott, Heather; Primorac, Elena; Kuhlenbeck, Helmut; Shaikhutdinov, Shamil; Freund, Hans-Joachim

    2010-03-05

    We present a rigorous parameter-free theoretical treatment of the Ce 4s and 5s photoelectron spectra of CeO2. In the currently accepted model the satellite structure in the photoelectron spectra is explained in terms of a mixed valence (Ce 4f0 O 2p6, Ce 4f1 O 2p5, and Ce 4f2 O 2p4) configurations. We show that charge transfer (CT) into Ce 5d as well as configurations involving intra-atomic movement of charge must be considered in addition and compute their contributions to the spectra.

  6. Mid-Infrared Atomic Fine-Structure Emission Line Spectra of Luminous Infrared Galaxies: Spitzer/IRS Spectra of the GOALS Sample

    CERN Document Server

    Inami, H; Charmandaris, V; Groves, B; Kewley, L; Petric, A; Stierwalt, S; Díaz-Santos, T; Surace, J; Rich, J; Haan, S; Howell, J; Evans, A; Mazzarella, J; Marshall, J; Appleton, P; Lord, S; Spoon, H; Frayer, D; Matsuhara, H; Veilleux, S

    2013-01-01

    We present the data and our analysis of MIR fine-structure emission lines detected in Spitzer/IRS high-res spectra of 202 local LIRGs observed as part of the GOALS project. We detect emission lines of [SIV], [NeII], [NeV], [NeIII], [SIII]18.7, [OIV], [FeII], [SIII]33.5, and [SiII]. Over 75% of our galaxies are classified as starburst (SB) sources in the MIR. We compare ratios of the emission line fluxes to stellar photo- and shock-ionization models to constrain the gas properties in the SB nuclei. Comparing the [SIV]/[NeII] and [NeIII]/[NeII] ratios to the Starburst99-Mappings III models with an instantaneous burst history, the line ratios suggest that the SB in our LIRGs have ages of 1-4.5Myr, metallicities of 1-2Z_sun, and ionization parameters of 2-8e7cm/s. Based on the [SIII]/[SIII] ratios, the electron density in LIRG nuclei has a median electron density of ~300cm-3 for sources above the low density limit. We also find that strong shocks are likely present in 10 SB sources. A significant fraction of the ...

  7. Diagram X-ray emission spectra of a hollow atom: the Kh alpha1,2 and Kh beta1,3 hypersatellites of Fe.

    Science.gov (United States)

    Diamant, R; Huotari, S; Hämäläinen, K; Sharon, R; Kao, C C; Deutsch, M

    2003-11-07

    High-resolution Fe K(h) beta(1,3) and K(h) alpha(1,2) hypersatellite spectra were measured, using monochromatized synchrotron radiation photoexcitation. The lines' energies, splitting, excitation thresholds, and the K(h) alpha(1)/K(h) alpha(2) intensity ratio were derived with high accuracy. Having both spectra, not hitherto available for any atom with high resolution, allows separating out the energy shifts of the outer levels caused by a K shell spectator vacancy. Comparison with ab initio relativistic multiconfigurational Dirac-Fock calculations reveals that while the influence of relativity and QED effects is mostly accounted for, discrepancies remain in the lines' intensity ratio, which sensitively measures the intermediacy of the coupling. Similar discrepancies, of unknown origin, are found in the energy shifts of the outer levels due to the final-state K shell spectator vacancy.

  8. Phase-modulated electronic wave-packet interferometry reveals high resolution vibronic spectra of free Rb atoms and Rb*He molecules

    CERN Document Server

    Bruder, Lukas; Stienkemeier, Frank

    2015-01-01

    Phase-modulated wave-packet interferometry is combined with mass-resolved photoion detection to investigate rubidium atoms attached to helium nanodroplets in a molecular beam experiment. The spectra of atomic Rb electronic states show a vastly enhanced sensitivity and spectral resolution when compared to conventional pump-probe wave-packet interferometry. Furthermore, the formation of Rb*He exciplex molecules is probed and for the first time a fully resolved vibrational spectrum for transitions between the lowest excited $5\\Pi_{3/2}$ and the high-lying electronic states $2^2\\Pi$, $4^2\\Delta$, $6^2\\Sigma$ is obtained and compared to theory. The feasibility of applying coherent multidimensional spectroscopy to dilute cold gas phase samples is demonstrated in these experiments.

  9. Shifts in the ESR spectra of alkali-metal atoms (Li, Na, K, Rb) on helium nanodroplets.

    Science.gov (United States)

    Hauser, Andreas W; Gruber, Thomas; Filatov, Michael; Ernst, Wolfgang E

    2013-03-18

    He-droplet-induced changes of the hyperfine structure constants of alkali-metal atoms are investigated by a combination of relativistically corrected ab initio methods with a simulation of the helium density distribution based on He density functional theory. Starting from an accurate description of the variation of the hyperfine structure constant in the M-He diatomic systems (M=Li, Na, K, Rb) as a function of the interatomic distance we simulate the shifts induced by droplets of up to 10,000 (4)He atoms. All theoretical predictions for the relative shifts in the isotropic hyperfine coupling constants of the alkali-metal atoms attached to helium droplets of different size are then tied to a single, experimentally derived parameter of Rb.

  10. Interacting He and Ar atoms: Revised theoretical interaction potential, dipole moment, and collision-induced absorption spectra.

    Science.gov (United States)

    Meyer, Wilfried; Frommhold, Lothar

    2015-09-21

    Coupled cluster quantum chemical calculations of the potential energy surface and the induced dipole surface are reported for the He-Ar van der Waals collisional complex. Spectroscopic parameters are derived from global analytical fits while an accurate value for the long-range dipole coefficient D7 is obtained by perturbation methods. Collision-induced absorption spectra are computed quantum mechanically and compared with existing measurements.

  11. The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction.

    Science.gov (United States)

    Luppi, Eleonora; Head-Gordon, Martin

    2013-10-28

    We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L = 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model.

  12. Auger Spectra and Different Ionic Charges Following 3s, 3p and 3d Sub-Shells Photoionization of Kr Atoms

    Directory of Open Access Journals (Sweden)

    Yehia A. Lotfy

    2006-01-01

    Full Text Available The decay of inner-shell vacancy in an atom through radiative and non-radiative transitions leads to final charged ions. The de-excitation decay of 3s, 3p and 3d vacancies in Kr atoms are calculated using Monte-Carlo simulation method. The vacancy cascade pathway resulted from the de-excitation decay of deep core hole in 3s subshell in Kr atoms is discussed. The generation of spectator vacancies during the vacancy cascade development gives rise to Auger satellite spectra. The last transitions of the de-excitation decay of 3s, 3p and 3d holes lead to specific charged ions. Dirac-Fock-Slater wave functions are adapted to calculate radiative and non-radiative transition probabilities. The intensity of Kr^{4+} ions are high for 3s hole state, whereas Kr^{3+} and Kr^{2+} ions have highest intensities for 3p and 3d hole states, respectively. The present results of ion charge state distributions agree well with the experimental data.

  13. Theory of the low frequency mechanical modes and Raman spectra of the M13 bacteriophage capsid with atomic detail.

    Science.gov (United States)

    Dykeman, Eric C; Sankey, Otto F

    2009-01-21

    We present a theoretical study of the low frequency vibrational modes of the M13 bacteriophage using a fully atomistic model. Using ideas from electronic structure theory, the few lowest vibrational modes of the M13 bacteriophage are determined using classical harmonic analysis. The relative Raman intensity is estimated for each of the mechanical modes using a bond polarizability model. Comparison of the atomic mechanical modes calculated here with modes derived from elastic continuum theory shows that a much richer spectrum emerges from an atomistic picture.

  14. Evolution of energetic neutral atom spectra as measured by the Interstellar Boundary Explorer during its first seven years

    Science.gov (United States)

    Dayeh, Maher A.; Heerikhuisen, Jacob; McComas, David; Schwadron, Nathan; Desai, Mihir; Zirnstein, Eric J.

    2016-07-01

    The Interstellar Boundary Explorer (IBEX) mission continues to provide remote Energetic Neutral Atom (ENA) measurements produced by charge exchange between energetic protons and interstellar neutrals at the edge of our heliosphere. Using the first seven years of IBEX-Hi ENA measurements (January 2009 through December 2015), we examine the evolution of the spectral slopes in four different energy bands, namely, ˜0.7-1.1 keV, ˜1.1-1.7 keV, ˜1.7-2.7 keV, and ˜2.7-4.3 keV, across different regions of the sky. Results show that spectral slopes at each energy band are characterized with unique distribution properties (e.g., width, shape, and mode), which vary in time at different rates and in both directions (distribution modes increase or decrease). We attempt to explain these results in context of ENA source regions, solar wind temporal variations, and changes in the heliosheath thickness and its plasma properties. These results provide insights into ENA production mechanisms, properties of their plasma progenitors, and how they relate to changes in the solar wind.

  15. Atomic-scale microstructures, Raman spectra and dielectric properties of cubic pyrochlore-typed Bi1.5MgNb1.5O7 dielectric ceramics

    KAUST Repository

    Li, Yangyang

    2014-07-01

    Single-phase cubic pyrochlore-typed Bi1.5MgNb 1.5O7 (BMN) dielectric ceramics were synthesized at temperatures of 1050-1200 °C by solid-state reaction method. Their atomic-scale microstructures and dielectric properties were investigated. X-ray diffraction patterns revealed that the BMN ceramics had an average cubic pyrochlore structure, whereas the Raman spectra indicated that they had an essentially cubic symmetry with small local deviations at the A and O\\' sites of the cubic pyrochlore structure. This was confirmed by selected electron area diffraction (SAED) patterns, where the reflections of {442} (not allowed in the cubic pyrochlore with Fd3̄m symmetry) were clearly observed. SEM and TEM images revealed that the average grain size was increased with the sintering temperature, and an un-homogeneous grain growth was observed at high temperatures. HRTEM images and SAED patterns revealed the single-crystalline nature of the BMN ceramic grains. Energy dispersive spectroscopy (EDS) elemental mapping studies indicated that the compositional distributions of Bi, Mg, Nb and O elements in the ceramic grains were homogenous, and no elemental precipitation was observed at the grain boundary. Quantitative EDS data on ceramic grains revealed the expected cationic stoichiometry based on the initial composition of Bi1.5MgNb1.5O7. Dielectric constants of all the BMN samples exhibited almost frequency independent characteristic in the frequency range of 102-106 Hz, and the highest value was 195 for the BMN ceramics sintered at sintered at 1150 °C with the highest bulk density. The dielectric losses were stable and less than 0.002 in the frequency range of 102-105 Hz. The high dielectric constants of the present BMN samples can be ascribed to the local atomic deviations at the A and O\\' sites from the ideal atomic positions of the pyrochlore structure, which affect the different polarization mechanisms in the BMN ceramics, and which in turn enhance the dielectric

  16. Spectra of atoms and molecules

    CERN Document Server

    Bernath, Peter F

    2005-01-01

    1. Introduction. 1.1. Waves, Particles, and Units. 1.2. The Electromagnetic Spectrum. 1.3. Interaction of Radiation with Matter. 1.3a. Blackbody Radiation. 1.3b. Einstein A and B Coefficients. 1.3c. Absorption and Emission of Radiation. 1.3d. Beer''s Law. 1.3e. Lineshape Functions. 1.3f. Natural Lifetime Broadening. 1.3g. Pressure Broadening. 1.3h. Doppler Broadening. 1.3i. Transit-Time Broadening. 1.3j. Power Broadening. 2. Molecular Symmetry. 2.1. Symmetry Operations. 2.1a. Operator Algebra. 2.1b. Symmetry Operator Algebra. 2.2. Groups. 2.2a. Point Groups. 2.2b. Classes. 2.2c. Subgroups. 2.3. Notation for Point Groups. 3. Matrix Representation of Groups. 3.1. Vectors and Matrices. 3.1a. Matrix Eigenvalue Problem. 3.1b. Similarity Transformations. 3.2. Symmetry Operations and Position Vectors. 3.2a. Reflection. 3.2b. Rotation. 3.2c. Rotation-Reflection. 3.2d. Inversion. 3.2e. Identity. 3.3. Symmetry Operators and Basic Vectors. 3.4. Symmetry Operators and Basic Functions. 3.4a. Function Spaces. 3.4b. Gram-Sc...

  17. The Infrared Spectra of Polycyclic Aromatic Hydrocarbons with Excess Peripheral H Atoms (H(sub n)-PAHs) and their Relation to the 3.4 and 6.9 Micrometer PAH Emission Features

    Science.gov (United States)

    Sandford, Scott A.; Bernstein, Max P.; Materese, Christopher K.

    2013-01-01

    A population of polycyclic aromatic hydrocarbons (PAHs) and related materials are thought to be responsible for the family of infrared emission features that are seen towards a wide variety of astrophysical environments. A potentially important subclass of these materials are polycyclic aromatic hydrocarbons whose edges contain excess H atoms (H(sub n)-PAHs). While it has been suggested that this type of compound may be present in the interstellar population, it has been difficult to properly assess this possibility because of a lack of suitable infrared laboratory spectra to assist with analysis of the astronomical data. We present the 4000-500 cm(exp -1) (2.5-20 micrometers) infrared spectra of 23 H(sub n)-PAHs and related molecules isolated in argon matrices, under conditions suitable for use in the interpretation of astronomical data. The spectra of molecules with mixed aromatic and aliphatic domains show unique characteristics that distinguish them from their fully aromatic PAH equivalents. We discuss the changes to the spectra of these types of molecules as they transition from fully aromatic to fully aliphatic forms. The implications for the interpretation of astronomical spectra are discussed with specific emphasis on the 3.4 and 6.9 micrometer features. Laboratory data is compared with emission spectra from IRAS 21282+5050, an object with normal PAH emission features, in addition to IRAS 22272+5435 and IRAS 0496+3429, two protoplanetary nebulae with abnormally large 3.4 micrometer features. We show that 'normal' PAH emission objects contain relatively few H(sub n)-PAHs in their emitter populations, but less evolved protoplanetary nebulae may contain significant abundances of these molecules.

  18. Theoretical Investigation on the Substituent Effect of Halogen Atoms at the C8 Position of Adenine: Relative Stability, Vibrational Frequencies, and Raman Spectra of Tautomers.

    Science.gov (United States)

    Chen, Yan-Li; Wu, De-Yin; Tian, Zhong-Qun

    2016-06-16

    We have theoretically investigated the substituent effect of adenine at the C8 position with a substituent X = H, F, Cl, and Br by using the density functional theory (DFT) at the B3LYP/6-311+G(d, p) level. The aim is to study the substituent effect of halogen atoms on the relative stability, vibrational frequencies, and solvation effect of tautomers. Our calculated results show that for substituted adenine molecules the N9H8X tautomer to be the most stable structure in gas phase at the present theoretical level. Here N9H8X denotes the hydrogen atom binds to the N9 position of imidazole ring and X denotes H, F, Cl, and Br atoms. The influence of the induced attraction of the fluorine substituent is significantly larger than chlorine and bromine ones. The halogen substituent effect has a significant influence on changes of vibrational frequencies and Raman intensities.

  19. Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

    2000-01-01

    We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

  20. 多针对板负电晕放电激发态N原子发射光谱研究%Study of Emission Spectra of N Atom Generated in Multi-Needle-to-Plate Corona Discharge

    Institute of Scientific and Technical Information of China (English)

    葛辉; 于然; 张路; 宓东; 朱益民

    2012-01-01

    The emission spectra of nitrogen (N) atom produced by multi-needle-to-plate negative corona discharge in air were detected successfully at one atmosphere, and the excited transition spectral line at 674. 5 nm with maximum value of relative intensity was selected to investigate the influences of air and electrical parameters on N atom relative density. The results indicate that N atom relative density in ionization region increases with the increase in power; decreases with increasing discharge gap and relative humidity; and with the increase in N2 content, the relative density of N active atom firstly increases and then decreases. Under present experimental conditions, the maximum value of N atom relative density appears at the axial distance from needle point r=1 mm.%在常压空气中,利用OES技术检测到负直流电晕放电等离子中激发态N原子发射光谱,并利用相对谱峰强度最大的674.5 nm N原子激发跃迁谱线研究了相关空气参数和电参数对其相对密度的影响.结果表明,电离区内N原子相对密度随注入功率的升高呈增加趋势;随电极间距和相对湿度的增加,其相对密度逐渐减小;随N2流量增加,其相对密度呈先增加再减小趋势.在实验条件下,当针尖轴向距离r=1 mm时,N原子相对密度出现最大值.

  1. Spectroscopic determination of highly nonequilibrium velocity spectra of hydrogen atoms in H{sub 2} + Ne, Ar, Kr hollow-cathode discharges

    Energy Technology Data Exchange (ETDEWEB)

    Lavrov, B.P.; Mel`nikov, A.S. [St. Petersburg State Univ., Peterhof (Russian Federation)

    1995-12-01

    Energy distribution functions of excited (into the state with principal quantum number n = 3) and normal hydrogen atoms in plasma of a hollow-cathode discharge in an H{sub 2} + Ar mixture are determined in the range of 0-120 eV from Doppler profiles of spectral lines of the Balmer series. The distribution functions are found to be substantially nonequilibrium. The analysis of spectral profiles of H{sub {alpha}}lines in plasma of a high-volt-age hollow-cathode discharge in pure hydrogen shows that a part of the high-velocity excited hydrogen atoms is formed through charge exchange of negative H{sup {minus}} ions. Estimates show that the concentration of high-velocity H{sup {minus}} ions does not exceed several percent of the concentration of positive ions and increases with hydrogen pressure. Estimates of relative cross sections for excitation of hydrogen atoms to levels with n = 3, 4, and 5 in collisions of H atorns with H{sub 2} molecules are made. 18 refs., 3 figs., 1 tab.

  2. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  3. Analytical Morse/long-range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: a case study of CH₃F-He.

    Science.gov (United States)

    Ma, Yong-Tao; Zeng, Tao; Li, Hui

    2014-06-07

    Four-dimensional ab initio intermolecular potential energy surfaces (PESs) for CH3F-He that explicitly incorporates dependence on the Q3 stretching normal mode of the CH3F molecule and are parametrically dependent on the other averaged intramolecular coordinates have been calculated. Analytical three-dimensional PESs for v3(CH3F) = 0 and 1 are obtained by least-squares fitting the vibrationally averaged potentials to the Morse/Long-Range potential function form. With the 3D PESs, we employ Lanczos algorithm to calculate rovibrational levels of the dimer system. Following some re-assignments, the predicted transition frequencies are in good agreement with experimental microwave data for ortho-CH3F, with the root-mean-square deviation of 0.042 cm(-1). We then provide the first prediction of the infrared and microwave spectra for the para-CH3F-He dimer. The calculated infrared band origin shifts associated with the ν3 fundamental of CH3F are 0.039 and 0.069 cm(-1) for para-CH3F-He and ortho-CH3F-He, respectively.

  4. Influence of inelastic collisions with hydrogen atoms on the formation of AlI and SiI lines in stellar spectra

    Science.gov (United States)

    Mashonkina, L. I.; Belyaev, A. K.; Shi, J.-R.

    2016-06-01

    We have performed calculations by abandoning the assumption of local thermodynamic equilibrium (within the so-called non-LTE approach) for Al I and Si I with model atmospheres corresponding to stars of spectral types F-G-Kwith differentmetal abundances. To take into account inelastic collisions with hydrogen atoms, for the first time we have applied the cross sections calculated by Belyaev et al. using model approaches within the formalism of the Born-Oppenheimer quantum theory. We show that for Al I non-LTE leads to higher ionization (overionization) than in LTE in the spectral line formation region and to a weakening of spectral lines, which is consistent with earlier non-LTE studies. However, our results, especially for the subordinate lines, differ quantitatively from the results of predecessors. Owing to their large cross sections, the ion-pair production and mutual neutralization processes Al I( nl) + HI(1 s) ↔ Al II(3 s 2) + H- provide a close coupling of highly excited Al I levels with the Al II ground state, which causes the deviations from the equilibrium level population to decrease compared to the calculations where the collisions only with electrons are taken into account. For three moderately metal-deficient dwarf stars, the aluminum abundance has been determined from seven Al I lines in different models of their formation. Under the assumption of LTE and in non-LTE calculations including the collisions only with electrons, the Al I 3961 ˚A resonance line gives a systematically lower abundance than the mean abundance from the subordinate lines, by 0.25-0.45 dex. The difference for each star is removed by taking into account the collisions with hydrogen atoms, and the rms error of the abundance derived from all seven Al I lines decreases by a factor of 1.5-3 compared to the LTE analysis. We have calculated the non- LTE corrections to the abundance for six subordinate Al I lines as a function of the effective temperature (4500 K ≤ T eff ≤ 6500 K

  5. Inequality spectra

    Science.gov (United States)

    Eliazar, Iddo

    2017-03-01

    Inequality indices are widely applied in economics and in the social sciences as quantitative measures of the socioeconomic inequality of human societies. The application of inequality indices extends to size-distributions at large, where these indices can be used as general gauges of statistical heterogeneity. Moreover, as inequality indices are plentiful, arrays of such indices facilitate high-detail quantification of statistical heterogeneity. In this paper we elevate from arrays of inequality indices to inequality spectra: continuums of inequality indices that are parameterized by a single control parameter. We present a general methodology of constructing Lorenz-based inequality spectra, apply the general methodology to establish four sets of inequality spectra, investigate the properties of these sets, and show how these sets generalize known inequality gauges such as: the Gini index, the extended Gini index, the Rényi index, and hill curves.

  6. Mass attenuation coefficient (μ/ρ), effective atomic number (Z{sub eff}) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S. [Centro de Desenvolvimento da Tecnologia Nuclear / CNEN, Pte. Antonio Carlos 6627, Belo Horizonte 31270-901, Minas Gerais (Brazil); Goncalves Z, E., E-mail: madelon@cdtn.br [Pontifice Catholic University of Minas Gerais, Av. Dom Jose Gaspar 500, Belo Horizonte 30535-901, Minas Gerais (Brazil)

    2015-10-15

    In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Z{sub eff} of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Z{sub eff} using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

  7. Atomic Data: Division B / Commission 14 / Working Group Atomic Data

    CERN Document Server

    Nave, Gillian; Zhao, Gang

    2015-01-01

    This report summarizes laboratory measurements of atomic wavelengths, energy levels, hyperfine and isotope structure, energy level lifetimes, and oscillator strengths. Theoretical calculations of lifetimes and oscillator strengths are also included. The bibliography is limited to species of astrophysical interest. Compilations of atomic data and internet databases are also included. Papers are listed in the bibliography in alphabetical order, with a reference number in the text. Comprehensive lists of references for atomic spectra can be found in the NIST Atomic Spectra Bibliographic Databases http://physics.nist.gov/asbib.

  8. Atomic and molecular supernovae

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.

    1997-12-01

    Atomic and molecular physics of supernovae is discussed with an emphasis on the importance of detailed treatments of the critical atomic and molecular processes with the best available atomic and molecular data. The observations of molecules in SN 1987A are interpreted through a combination of spectral and chemical modelings, leading to strong constraints on the mixing and nucleosynthesis of the supernova. The non-equilibrium chemistry is used to argue that carbon dust can form in the oxygen-rich clumps where the efficient molecular cooling makes the nucleation of dust grains possible. For Type Ia supernovae, the analyses of their nebular spectra lead to strong constraints on the supernova explosion models.

  9. An experiment on multibubble sonoluminescence spectra in sodium chloride solution

    Institute of Scientific and Technical Information of China (English)

    CHEN Zhan; XU JunFeng; HUANG Wei; CHEN WeiZhong; MIAO GuoQing

    2008-01-01

    We investigated experimentally the spectra of MBSL in sodium chloride water solution with krypton as dissolved gas. We observed and compared the spectra of hydroxyl ion at 310 nm and that of sodium atom at 589 nm. It has been found that under the same experimental condition, the intensity of sodium atom spectra is obviously higher than that of the hydroxyl ion spectra, and is more sensitive to the experimental condition. The krypton content, the concentration of sodium chloride solution, and the driving sound pressure obviously affect the spectra intensity in certain range.

  10. Reactor Neutrino Spectra

    OpenAIRE

    Hayes, A. C.; Vogel, Petr

    2016-01-01

    We present a review of the antineutrino spectra emitted from reactors. Knowledge of these spectra and their associated uncertainties is crucial for neutrino oscillation studies. The spectra used to date have been determined either by converting measured electron spectra to antineutrino spectra or by summing over all of the thousands of transitions that make up the spectra, using modern databases as input. The uncertainties in the subdominant corrections to β-decay plague both methods, and we ...

  11. Nuclear effects in atomic transitions

    OpenAIRE

    Pálffy, Adriana

    2011-01-01

    Atomic electrons are sensitive to the properties of the nucleus they are bound to, such as nuclear mass, charge distribution, spin, magnetization distribution, or even excited level scheme. These nuclear parameters are reflected in the atomic transition energies. A very precise determination of atomic spectra may thus reveal information about the nucleus, otherwise hardly accessible via nuclear physics experiments. This work reviews theoretical and experimental aspects of the nuclear effects ...

  12. Molecular Dynamics and Picosecond Vibrational Spectra.

    Science.gov (United States)

    1980-07-01

    and Identify by block number) molecular dynamics picosecond infra-red spectra crmputer simulation vibrational spectra array processor linear rcsponse...that for molecular dynamics theoretical computation is now long enough, to significantly overlap. This overlap of theory and experiment can, at least...to discover these microscopic atomic trajectories, i.e. the molecular dynamics of solution processes, we must be able to both theoretically compute

  13. Complex Spectra in Fusion Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hellermann, M.G. von; Jaspers, R. [FOM-Institute for Plasma Physics Rijnhuizen, Nieuwegein (Netherlands); Bertschinger, G.; Biel, W.; Marchuk, O. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Plasmaphysik; Giroud, C.; Zastrow, K.D. [UKAEA Culham Laboratory Euratom Association, Abingdon (United Kingdom); Jupen, C. [Univ. of Lund (Sweden). Physics Dept.; O' Mullane, M.; Summers, H.P.; Whiteford, A. [Univ. of Strathclyde, Glasgow (United Kingdom). Applied Physics Dept.

    2005-12-15

    The need for quantitative evaluation of complex line emission spectra as observed in hot fusion plasmas initiated a challenging development of sophisticated interpretation tools based on integrating advanced atomic modelling with detailed treatment of the plasma environment. The successful merging of the two worlds has led to routine diagnostic procedures which have contributed enormously to the understanding of underlying plasma processes and also to a wide acceptance of spectroscopy as a reliable diagnostic method. In this paper three characteristic types of spectra of current and continuing interest are presented. The first is that of medium/heavy species with many ionisation stages revealed in survey VUV and XUV spectra. Such species occur as control gases, as wall materials, as ablated heavy species and possible as layered wall dopants for monitoring erosion. The spectra are complex with line-like and quasi-continuum regions and are amenable to advanced ?pattern recognition' methods. The second type is of few electron, highly ionised systems observed as line-of-sight integrated passive emission spectra in the soft X-ray region. They are analysed successfully in terms of plasma parameters through matching of observation with predicted synthetic spectra. Examples used here include highly resolved helium-like emission spectra of argon, iron and titanium observed on the tokamaks TEXTOR and Tore Supra. The third type, and the emphasis of this work, comprises spectra linked to active beam spectroscopy, that is, charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES). In this case, a complex spectrum is again composed of a (usually) dominating active spectrum and an underlying passive emission spectrum. Its analysis requires modelling of both active and passive features. Examples used here are from the CXRS diagnostic at JET and TEXTOR. They display characteristic features of the main light impurity ions (C{sup +6}, He{sup +2}, N

  14. Phonon spectra in quantum wires

    Directory of Open Access Journals (Sweden)

    Ilić Dušan

    2007-01-01

    Full Text Available Green's function method, adjusted to bound crystalline structures, was applied to obtain the phonon dispersion law in quantum wires. The condition of the existence of small mechanical atom movements defining phonon spectra can be found by solving the secular equation. This problem was presented graphically for different boundary parameters. The presence of boundaries, as well as the change of boundary parameters, leads to the appearance of new properties of the layered structure. The most important feature is that, beside the allowed energy zones (which are continuous as in the bulk structure, zones of forbidden states appear. Different values of the boundary parameters lead to the appearance of lower and upper energy gaps, or dispersion branches spreading out of the bulk energy zone. The spectra of phonons in corresponding unbound structures were correlated to those in bound structures.

  15. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k(OH +...

  16. Mass Spectra of Some 4- and 5-Substituted Derivatives of Benzoselenadiazoles

    Directory of Open Access Journals (Sweden)

    Marcel Schultz

    2000-07-01

    Full Text Available Electron impact mass spectra of variety of eight 4-substituted and eight 5-substituted benzoselenadiazoles are presented and their spectral fragmentations are discussed. New mass spectra containing selenium in heterocyclic azole atom containing ring.

  17. Reactor Neutrino Spectra

    CERN Document Server

    Hayes, A C

    2016-01-01

    We present a review of the antineutrino spectra emitted from reactors. Knowledge of these and their associated uncertainties are crucial for neutrino oscillation studies. The spectra used to-date have been determined by either conversion of measured electron spectra to antineutrino spectra or by summing over all of the thousands of transitions that makeup the spectra using modern databases as input. The uncertainties in the subdominant corrections to beta-decay plague both methods, and we provide estimates of these uncertainties. Improving on current knowledge of the antineutrino spectra from reactors will require new experiments. Such experiments would also address the so-called reactor neutrino anomaly and the possible origin of the shoulder observed in the antineutrino spectra measured in recent high-statistics reactor neutrino experiments.

  18. Atom chips

    CERN Document Server

    Reichel, Jakob

    2010-01-01

    This book provides a stimulating and multifaceted picture of a rapidly developing field. The first part reviews fundamentals of atom chip research in tutorial style, while subsequent parts focus on the topics of atom-surface interaction, coherence on atom chips, and possible future directions of atom chip research. The articles are written by leading researchers in the field in their characteristic and individual styles.

  19. Atomic energy

    CERN Multimedia

    1996-01-01

    Interviews following the 1991 co-operation Agreement between the Department of Atomic Energy (DAE) of the Government of India and the European Organization for Nuclear Research (CERN) concerning the participation in the Large Hadron Collider Project (LHC) . With Chidambaram, R, Chairman, Atomic Energy Commission and Secretary, Department of Atomic Energy, Department of Atomic Energy (DAE) of the Government of India and Professor Llewellyn-Smith, Christopher H, Director-General, CERN.

  20. Decoherence Spectroscopy for Atom Interferometry

    Directory of Open Access Journals (Sweden)

    Raisa Trubko

    2016-08-01

    Full Text Available Decoherence due to photon scattering in an atom interferometer was studied as a function of laser frequency near an atomic resonance. The resulting decoherence (contrast-loss spectra will be used to calibrate measurements of tune-out wavelengths that are made with the same apparatus. To support this goal, a theoretical model of decoherence spectroscopy is presented here along with experimental tests of this model.

  1. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  2. Atomic spectroscopy and radiative processes

    CERN Document Server

    Landi Degl'Innocenti, Egidio

    2014-01-01

    This book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e.g., cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.

  3. Absorption spectra of AA-stacked graphite

    Energy Technology Data Exchange (ETDEWEB)

    Chiu, C W; Lee, S H; Chen, S C; Lin, M F [Department of Physics, National Cheng Kung University, Taiwan (China); Shyu, F L, E-mail: fl.shyu@msa.hinet.ne, E-mail: mflin@mail.ncku.edu.t [Department of Physics, ROC Military Academy, 830 Kaohsiung, Taiwan (China)

    2010-08-15

    AA-stacked graphite shows strong anisotropy in geometric structures and velocity matrix elements. However, the absorption spectra are isotropic for the polarization vector on the graphene plane. The spectra exhibit one prominent plateau at middle energy and one shoulder structure at lower energy. These structures directly reflect the unique geometric and band structures and provide sufficient information for experimental fitting of the intralayer and interlayer atomic interactions. On the other hand, monolayer graphene shows a sharp absorption peak but no shoulder structure; AA-stacked bilayer graphene has two absorption peaks at middle energy and abruptly vanishes at lower energy. Furthermore, the isotropic features are expected to exist in other graphene-related systems. The calculated results and the predicted atomic interactions could be verified by optical measurements.

  4. Atomic physics

    CERN Document Server

    Born, Max

    1989-01-01

    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  5. Interpretation of Nitroindolinospirobenzothiopyran Vibrational Spectra

    Science.gov (United States)

    Gladkov, L. L.; Khamchukov, Yu. D.; Lyubimov, A. V.

    2016-05-01

    The structures of four possible stereoisomers of the closed form of photochromic nitroindolinospirobenzothiopyran (NISTP) {1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzothiopyran-2,2'-(2H)-indoline]} were determined by the DFT method. The geometry of the most stable isomer was defined. Nitro-substitution changes mainly the lengths of bonds formed by S and N with spiro-atom Cs. According to the calculations, the CsS bond changes most and lengthens by 0.019 Å. It is shown that the S atom has large displacement amplitudes in normal modes assigned to Raman lines at 230, 285, 360, and 575 cm-1 and weak IR bands at 467 and 577 cm-1. Oscillations involving the nitro group are very active in Raman and IR spectra. Their frequencies are slightly lower than similar frequencies of nitrobenzene and nitroindolinospirobenzopyran, indicating a higher degree of vibrational coupling of the NO2 group with the NISTP molecular skeleton.

  6. Raman Spectra of Glasses

    Science.gov (United States)

    1986-11-30

    17), Raman spectra, plus a , . theoretical treatment of the data, f complex fluorozirconate 14 I anions in ZBLAN glasses and melts (16), and...based ZBLAN glasses ) 17. ICORS (International Conference on Raman Spectroscopy) Proceedings, London, England. Conferencf 5-9 Sep 88. (Molten silica...RESEARCH FINAL REPORT DTIC CONTRACT N00014-81-K-0501 &JELECTE 1 MAY 81 -- 30 NOV 86 EJJAN041989 V "RAMAN SPECTRA OF GLASSES " 0 During the five years of the

  7. Chiral atomically thin films

    Science.gov (United States)

    Kim, Cheol-Joo; Sánchez-Castillo, A.; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm-1) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  8. Experiments with Ξ- atoms

    Science.gov (United States)

    Batty, C. J.; Friedman, E.; Gal, A.

    1999-01-01

    Experiments with Ξ- atoms are proposed in order to study the nuclear interaction of Ξ hyperons. The production of Ξ- in the (K-,K+) reaction, the Ξ- stopping in matter, and its atomic cascade are incorporated within a realistic evaluation of the results expected for Ξ- x-ray spectra across the periodic table, using an assumed Ξ-nucleus optical potential Vopt. Several optimal targets for measuring the strong-interaction shift and width of the x-ray transition to the ``last'' atomic level observed are singled out: F, Cl, I, and Pb. The sensitivity of these observables to the parameters of Vopt is considered. The relevance of such experiments is discussed in the context of strangeness -2 nuclear physics and multistrange nuclear matter. Finally, with particular reference to searches for the H dibaryon, the properties of Ξ-d atoms are also discussed. The role of Stark mixing and its effect on S and P state capture of Ξ- by the deuteron together with estimates of the resulting probability for producing the H dibaryon are considered in detail.

  9. Infrared Spectra and Density Functional Calculations for Singlet CH2═SiX2 and Triplet HC-SiX3 and XC-SiX3 Intermediates in Reactions of Laser-Ablated Silicon Atoms with Di-, Tri-, and Tetrahalomethanes.

    Science.gov (United States)

    Cho, Han-Gook; Andrews, Lester

    2016-03-21

    Reactions of laser-ablated silicon atoms with di-, tri-, and tetrahalomethanes in excess argon were investigated, and the products were identified from the matrix infrared spectra, isotopic shifts, and density functional theory energy, bond length, and frequency calculations. Dihalomethanes produce planar singlet silenes (CH2═SiX2), and tri- and tetrahalomethanes form triplet halosilyl carbenes (HC-SiX3 and XC-SiX3). The Si-bearing molecules identified are the most stable, lowest-energy product in the reaction systems. While the C-Si bond in the silene is a true double bond, the C-Si bond in the carbene is a shortened single bond enhanced by hyperconjugation of the two unpaired electrons on C to σ*(Si-X) orbitals, which contributes stabilization through a small amount of π-bonding and reduction of the HCSi or XCSi angles. The C-Si bond lengths in these carbenes (1.782 Å for HC-SiF3) are between the single-bond length in the unobserved first insertion intermediate (1.975 Å for CHF2-SiF) and the double-bond length in the silene (1.704 Å for CHF═SiF2). The silicon s(2)p(2) and titanium s(2)d(2) electron configurations produce similar primary products, but the methylidyne with Ti has a bond to carbon stronger than that of the halosilyl carbene.

  10. Spectra from nuclear-excited plasmas

    Science.gov (United States)

    De Young, R. J.; Weaver, W. R.

    1980-01-01

    The paper discusses the spectra taken from He-3(n,p)H-3 nuclear-induced plasmas under high thermal neutron flux, lasing conditions. Also, initial spectra are presented for U-235F6 generated plasmas. From an evaluation of these spectra, important atomic and molecular processes that occur in the plasma can be inferred. The spectra presented are the first to be generated by He-3 and U-235F6 nuclear reactions under high neutron flux, lasing conditions. The U-235(n,ff)FF reaction, which liberates 165 MeV of fission-fragment kinetic energy, creates plasmas that are of great interest, since at sufficiently high densities of U-235F6 the gas becomes self-critical; thus, there is no need for an external driving reactor (source of neutrons). The spectra from mixtures of He-3 and Ar, Xe, Kr, Ne, Cl2, F2 and N2 indicate little difference between high-pressure nuclear-induced plasmas and high-pressure electrically pulsed afterglow plasmas for noble-gas systems

  11. Determination of Atomic Data Pertinent to the Fusion Energy Program

    Energy Technology Data Exchange (ETDEWEB)

    Reader, J.

    2013-06-11

    We summarize progress that has been made on the determination of atomic data pertinent to the fusion energy program. Work is reported on the identification of spectral lines of impurity ions, spectroscopic data assessment and compilations, expansion and upgrade of the NIST atomic databases, collision and spectroscopy experiments with highly charged ions on EBIT, and atomic structure calculations and modeling of plasma spectra.

  12. Spectra and strains

    CERN Document Server

    Golyshev, V

    2008-01-01

    This is a blend of two informal reports on the activities of the seminar on Galois representations and mirror symmetry given at the Conference on classification problems and mirror duality at the Steklov Institute, in March 2006, and at the Seminar on Algebra, Geometry and Physics at MPI, in November 2007. We assess where we are on the issue of the spectra of Fano varieties, and state problems. We introduce higher dimensional irreducible analogues of dessins, the low ramified sheaves, and hypothesize that Fano spectra relate to their geometric conductors. We give a recipe to a physicist.

  13. NEW INTERPRETATION OF THE ATOMIC SPECTRA OF THE HYDROGEN ATOM: A MIXED MECHANISM OF CLASSICAL LC CIRCUITS AND QUANTUM WAVE-PARTICLE DUALITY NUEVA INTERPRETACIÓN DEL ESPECTRO ATÓMICO DEL ÁTOMO DE HIDRÓGENO: UN MECANISMO MIXTO DE CIRCUITOS LC Y LA DUALIDAD ONDA CUÁNTICA-PARTÍCULA

    Directory of Open Access Journals (Sweden)

    Héctor Torres-Silva

    2008-11-01

    Full Text Available In this paper we study the energy conversion laws of the macroscopic harmonic LC oscillator, the electromagnetic wave (photon and the hydrogen atom. As our analysis indicates, the energies of these apparently different systems obey exactly the same energy conversion law. Based on our results and the wave-particle duality of electrons, we find that the hydrogen atom is, in fact, a natural chiral microscopic LC oscillator. In the framework of classical electromagnetic field theory we analytically obtain, for the hydrogen atom, the quantized electron orbit radius , and quantized energy , (n = 1, 2, 3, · · ·, where is the Bohr radius and is the Rydberg constant. Without the adaptation of any other fundamental principles of quantum mechanics, we present a reasonable explanation of the polarization of photon, selection rules and Pauli exclusion principle. Our results also reveal an essential connection between electron spin and the intrinsic helical movement of electrons and indicate that the spin itself is the effect of quantum confinement.En este trabajo se presenta un estudio de las leyes macroscópicas de conversión de energía del oscilador armónico LC, la onda electromagnética (fotones y el átomo de hidrógeno. Como nuestro análisis indica, las energías de estos aparentemente diferentes sistemas obedecen exactamente la misma ley de conversión de la energía. Sobre la base de nuestros resultados y de la dualidad onda-partícula del electrón, nos encontramos con que el átomo de Hidrógeno, de hecho, es un oscilador LC microscópico naturalmente quiral. En el marco de la teoría clásica de campos electromagnéticos se obtiene analíticamente, para el átomo de hidrógeno, el radio cuantizado de la órbita electrónica , y la energía cuantizada , (n=1, 2, 3.., donde es el radio de Bohr, y es la constante de Rydberg. Sin la adaptación de otros principios fundamentales de la mecánica cuántica, se presenta una explicación razonable de

  14. Detailed computation of hot-plasma atomic spectra

    CERN Document Server

    Pain, Jean-Christophe; Blenski, Thomas

    2015-01-01

    We present recent evolutions of the detailed opacity code SCO-RCG which combines statistical modelings of levels and lines with fine-structure calculations. The code now includes the Partially-Resolved-Transition-Array model, which allows one to replace a complex transition array by a small-scale detailed calculation preserving energy and variance of the genuine transition array and yielding improved high-order moments. An approximate method for studying the impact of strong magnetic field on opacity and emissivity was also recently implemented. The Zeeman line profile is modeled by fourth-order Gram-Charlier expansion series, which is a Gaussian multiplied by a linear combination of Hermite polynomials. Electron collisional line broadening is often modeled by a Lorentzian function and one has to calculate the convolution of a Lorentzian with Gram-Charlier distribution for a huge number of spectral lines. Since the numerical cost of the direct convolution would be prohibitive, we propose, in order to obtain t...

  15. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  16. Atoms in static fields Chaos or Diffraction?

    CERN Document Server

    Dando, P A

    1998-01-01

    A brief review of the manifestations of classical chaos observed in atomic systems is presented. Particular attention is paid to the analysis of atomic spectra by periodic orbit-type theories. For diamagnetic non-hydrogenic Rydberg atoms, the dynamical explanation for observed spectral features has been disputed. By building on our previous work on the photoabsorption spectrum, we show how, by the addition of diffractive terms, the spectral fluctuations in the energy level spectrum of general Rydberg atoms can be obtained with remarkable precision from the Gutzwiller trace formula. This provides further evidence that non-hydrogenic systems are most naturally described in terms of diffraction rather than classical chaos.

  17. Infrared Spectra of Anionic Cobalt-Carbon Dioxide Clusters

    Science.gov (United States)

    Knurr, Benjamin; Weber, J. Mathias

    2014-06-01

    We present infrared photodissociation spectra of Co(CO_2)_n^- ions (n = 3 - 11) in the wavenumber region 1000 - 2400 cm-1, interpreted with the aid of density functional theory calculations. The spectra show signatures of several structural motifs for the interaction of a Co atom and CO_2 ligands. The spectra are dominated by a core ion showing bidentate interaction of two CO_2 ligands forming C-Co and O-Co bonds. The prevalence of triplet vs singlet states and the charge distribution in the Co(CO_2)_2^- core ion will also be discussed.

  18. Control of photodetachment spectra through laser dressing

    Science.gov (United States)

    Morrison, Nathan; Greene, Chris

    2013-05-01

    Photodetachment and photoionization spectra often display rich resonance structures. The properties of these spectra can be modified through dressing with intense laser fields, providing control over photon absorption and the emitted electron. We present a Floquet R-matrix method for calculating photodetachment cross sections in the presence of a dressing laser. The full wave functions in the Floquet formalism for bound and escaping electrons are found by solving the Schrödinger equation near the atomic core and applying analytic boundary conditions outside of the interaction region. These calculations are used to investigate the modification of existing resonances, such as modifying the shape, or q parameter, of Feshbach resonances. We also investigate the creation of new resonances in cases where high-lying bound states become autoionizing through the absorption of dressing laser photons. This work was supported by the DOE.

  19. Benchmarking statistical averaging of spectra with HULLAC

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2008-11-01

    Knowledge of radiative properties of hot plasmas is important for ICF, astrophysics, etc When mid-Z or high-Z elements are present, the spectra are so complex that one commonly uses statistically averaged description of atomic systems [1]. In a recent experiment on Fe[2], performed under controlled conditions, high resolution transmission spectra were obtained. The new version of HULLAC [3] allows the use of the same model with different levels of details/averaging. We will take advantage of this feature to check the effect of averaging with comparison with experiment. [1] A Bar-Shalom, J Oreg, and M Klapisch, J. Quant. Spectros. Rad. Transf. 65, 43 (2000). [2] J. E. Bailey, G. A. Rochau, C. A. Iglesias et al., Phys. Rev. Lett. 99, 265002-4 (2007). [3]. M. Klapisch, M. Busquet, and A. Bar-Shalom, AIP Conference Proceedings 926, 206-15 (2007).

  20. Atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, A.E.; Kukla, K.; Cheng, S. [Univ. of Toledo, OH (United States)] [and others

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  1. The Atomic orbitals of the topological atom

    OpenAIRE

    Ramos-Cordoba, Eloy; Salvador Sedano, Pedro

    2013-01-01

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These c...

  2. An Interactive Gallery of Planetary Nebula Spectra

    Science.gov (United States)

    Kwitter, K. B.; Henry, R. B. C.

    2002-12-01

    We have created a website containing high-quality moderate-resolution spectra of 88 planetary nebulae (PNe) from 3600 to 9600 Å, obtained at KPNO and CTIO. Spectra are displayed in a zoomable window, and there are templates available that show wavelength and ion identifications. In addition to the spectra themselves, the website also contains a brief discussion of PNe as astronomical objects and as contributors to our understanding of stellar evolution, and a table with atlas information for each object along with a link to an image. This table can be re-ordered by object name, galactic or equatorial coordinates, distance from the sun, the galactic center, or the galactic plane. We envision that this website, which concentrates a large amount of data in one place, will be of interest to a variety of users. PN researchers might need to check the spectrum of a particular object of interest; the non-specialist astronomer might simply be interested in perusing such a collection of spectra; and finally, teachers of introductory astronomy can use this database to illustrate basic principles of atomic physics and radiation. To encourage such use, we have written two simple exercises at a basic level to introduce beginning astronomy students to the wealth of information that PN spectra contain. We are grateful to Adam Wang of the Williams College OIT and to his summer student teams who worked on various apects of the implementation of this website. This work has been supported by NSF grant AST-9819123 and by Williams College and the University of Oklahoma.

  3. Meteors and meteorites spectra

    Science.gov (United States)

    Koukal, J.; Srba, J.; Gorková, S.; Lenža, L.; Ferus, M.; Civiš, S.; Knížek, A.; Kubelík, P.; Kaiserová, T.; Váňa, P.

    2016-01-01

    The main goal of our meteor spectroscopy project is to better understand the physical and chemical properties of meteoroids. Astrometric and spectral observations of real meteors are obtained via spectroscopic CCD video systems. Processed meteor data are inserted to the EDMOND database (European viDeo MeteOr Network Database) together with spectral information. The fully analyzed atmospheric trajectory, orbit and also spectra of a Leonid meteor/meteoroid captured in November 2015 are presented as an example. At the same time, our target is the systematization of spectroscopic emission lines for the comparative analysis of meteor spectra. Meteoroid plasma was simulated in a laboratory by laser ablation of meteorites samples using an (ArF) excimer laser and the LIDB (Laser Induced Dielectric Breakdown) in a low pressure atmosphere and various gases. The induced plasma emissions were simultaneously observed with the Echelle Spectrograph and the same CCD video spectral camera as used for real meteor registration. Measurements and analysis results for few selected meteorite samples are presented and discussed.

  4. Analysis of Photoassociation Spectra for Giant Helium Dimers

    CERN Document Server

    Léonard, J; Walhout, M; Van der Straten, P; Leduc, M

    2004-01-01

    We perform a theoretical analysis to interpret the spectra of purely long-range helium dimers produced by photoassociation (PA) in an ultra-cold gas of metastable helium atoms. The experimental spectrum obtained with the PA laser tuned closed to the $2^3S_1\\leftrightarrow 2^3P_0$ atomic line has been reported in a previous Letter. Here, we first focus on the corrections to be applied to the measured resonance frequencies in order to infer the molecular binding energies. We then present a calculation of the vibrational spectra for the purely long-range molecular states, using adiabatic potentials obtained from perturbation theory. With retardation effects taken into account, the agreement between experimental and theoretical determinations of the spectrum for the $0_u^+$ purely long-range potential well is very good. The results yield a determination of the lifetime of the $2^3P$ atomic state.

  5. The spectroscopy in the atomic vapour

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jai Hyung; Chang, Joon Sung; Jhe, Won Ho [Seoul National University, Seoul (Korea)

    1998-04-01

    As spectroscopies in the atomic vapor, we perform experiments on fluorescence in dense atomic vapor, single color two-photon resonant three photon ionization, production of high temperature oven and its spectroscopic application, atomic trap and cold atomic beam. We observe lengthening of lifetime as atomic density increase and compare this result with Holstein equation. Dependence on pressure an d polarization reveals the result is due to collisions between Yb atom and Ar buffer gas. At high atomic density, self-focusing and conical emission are observed. In two-photon resonant three photon ionization scheme, ionization rate is dependent on polarization. From selection rule, we determined the energy level. At higher energy, asymmetry and broadening of ionization linewidth due to AC Stark effect are observed. As the result of numerical simulation of time evolution in the two-photon transition, distortion of time evolution of density is obtained. For spectroscopy of high-melting-point elements, we design and produce high temperature oven. We observe absorption spectra of high-melting-point elements, Er and Sm. As high temperature nonlinear spectroscopies, we perform conical emission and self-diffraction in Sm vapor. We produce magneto-optical trap system and measure fluorescence from trapped atoms and temperature. By trapping Rb isotopes simultaneously, we perform collision experiment at low temperature. Using hollow mirror system, we trap atoms and produce cold atomic beam. (author). 160 refs., 66 figs., 5 tabs.

  6. Sequencing BPS Spectra

    CERN Document Server

    Gukov, Sergei; Saberi, Ingmar; Stosic, Marko; Sulkowski, Piotr

    2015-01-01

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincar\\'e polynomials in numerous examples. Among these structural properties is a novel "sliding" property, which can be explained by using (refined) modular $S$-matrix. This leads to the identifi...

  7. Plasmas applied atomic collision physics, v.2

    CERN Document Server

    Barnett, C F

    1984-01-01

    Applied Atomic Collision Physics, Volume 2: Plasmas covers topics on magnetically confined plasmas. The book starts by providing the history of fusion research and describing the various approaches in both magnetically and inertially confined plasmas. The text then gives a general discussion of the basic concepts and properties in confinement and heating of a plasma. The theory of atomic collisions that result in excited quantum states, particularly highly ionized impurity atoms; and diverse diagnostic topics such as emission spectra, laser scattering, electron cyclotron emission, particle bea

  8. Light Propagation in Ultracold Atomic Gases

    OpenAIRE

    Bariani, Francesco

    2009-01-01

    The propagation of light through an ultracold atomic gas is the main topic of the present work. The thesis consists of two parts. In Part I (Chapters 1,2,3), we give a complete description of the 1D photonic bands of a MI of two-level atoms paying attention to both band diagrams and reflectivity spectra. The role of regular periodicity of the system is addressed within a polariton formalism. The scattering on defects inside lattices of three-level atoms is also studied in view of optica...

  9. Atomic magnetometer

    Science.gov (United States)

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  10. Predicting Infrared Spectra of Nerve Agents Using Density Functional Theory

    Science.gov (United States)

    Zhang, Y.-P.; Wang, H.-T.; Zheng, W.-P.; Sun, C.; Bai, Y.; Guo, X.-D.; Sun, H.

    2016-09-01

    Vibration frequencies of four nerve agents and two simulators are calculated using B3LYP coupled with ten basis sets. To evaluate the accuracy of calculated spectra, root mean square error (RMSE) and weighted cross-correlation average (WCCA) are considered. The evaluation shows that B3LYP/6-311+g(d,p) performs best in predicting infrared spectra, and polarization functions are found to be more important than diffusion functions in spectra simulation. Moreover, B3LYP calculation underestimates frequencies related to the P atom. The WCCA metric derives 1.008 as a unique scaling factor for calculated frequencies. The results indicate that the WCCA metric can identify six agents based on calculated spectra.

  11. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  12. SPECTRW: A software package for nuclear and atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kalfas, C.A., E-mail: kalfas@inp.demokritos.gr [National Centre for Scientific Research Demokritos, Institute of Nuclear & Particle Physics, 15310 Agia Paraskevi, Attiki (Greece); Axiotis, M. [National Centre for Scientific Research Demokritos, Institute of Nuclear & Particle Physics, 15310 Agia Paraskevi, Attiki (Greece); Tsabaris, C. [Hellenic Centre for Marine Research, Institute of Oceanography, 46.7 Km Athens-Sounio Ave, P.O. Box 712, Anavyssos 19013 (Greece)

    2016-09-11

    A software package to be used in nuclear and atomic spectroscopy is presented. Apart from analyzing γ and X-ray spectra, it offers many additional features such as de-convolution of multiple photopeaks, sample analysis and activity determination, detection system evaluation and an embedded code for spectra simulation.

  13. Invisible structures in the X-ray absorption spectra of actinides

    NARCIS (Netherlands)

    Kvashnina, Kristina O.; De Groot, Frank M F

    2014-01-01

    The X-ray absorption spectra of actinides are discussed with an emphasis on the fundamental effects that influence their spectral shape, including atomic multiplet theory, charge transfer theory and crystal field theory. Many actinide spectra consist of a single peak and it is shown that the use of

  14. SSPALS for atomic physics with positronium

    CERN Document Server

    Deller, Adam

    2016-01-01

    Single-shot positron annihilation lifetime spectroscopy (SSPALS) has proven an extremely useful tool for atomic physics experiments with positronium (Ps). Using a Monte-Carlo simulation, I examine methods employed to analyze lifetime spectra and explore the advantages and limitations these have in laser spectroscopy experiments, such as resonance-enhance multiphoton ionization (REMPI) or the production of Rydberg Ps.

  15. Sequencing BPS spectra

    Science.gov (United States)

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-03-01

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel "sliding" property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d {N}=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  16. Non-Gaussian Spectra

    CERN Document Server

    Ferreira, P G; Ferreira, Pedro G.; Magueijo, Joao

    1997-01-01

    Gaussian cosmic microwave background skies are fully specified by the power spectrum. The conventional method of characterizing non-Gaussian skies is to evaluate higher order moments, the n-point functions and their Fourier transforms. We argue that this method is inefficient, due to the redundancy of information existing in the complete set of moments. In this paper we propose a set of new statistics or non-Gaussian spectra to be extracted out of the angular distribution of the Fourier transform of the temperature anisotropies in the small field limit. These statistics complement the power spectrum and act as localization, shape, and connectedness statistics. They quantify generic non-Gaussian structure, and may be used in more general image processing tasks. We concentrate on a subset of these statistics and argue that while they carry no information in Gaussian theories they may be the best arena for making predictions in some non-Gaussian theories. As examples of applications we consider superposed Gaussi...

  17. Ab initio calculations and modelling of atomic cluster structure

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Lyalin, Andrey G.; Greiner, Walter

    2004-01-01

    framework for modelling the fusion process of noble gas clusters is presented. We report the striking correspondence of the peaks in the experimentally measured abundance mass spectra with the peaks in the size-dependence of the second derivative of the binding energy per atom calculated for the chain...... of the noble gas clusters up to 150 atoms....

  18. 100th anniversary of Bohr's model of the atom.

    Science.gov (United States)

    Schwarz, W H Eugen

    2013-11-18

    In the fall of 1913 Niels Bohr formulated his atomic models at the age of 27. This Essay traces Bohr's fundamental reasoning regarding atomic structure and spectra, the periodic table of the elements, and chemical bonding. His enduring insights and superseded suppositions are also discussed.

  19. Long-range interactions between Rydberg atoms

    Science.gov (United States)

    Deiglmayr, Johannes

    2016-10-01

    We present an overview over theoretical models to describe adiabatic potential-energy curves, experimental excitation spectra, and electronic and nuclear dynamics in interacting Rydberg-atom pairs at large internuclear separations. The potential-energy curves and molecular wavefunctions are determined from the multipole expansion of the static Coulomb interaction which is evaluated numerically in a product basis of atomic orbitals. The convergence of this approach both in the truncation of the multipole expansion as well as in the size of the product basis is discussed, and the comparison of simulated excitation spectra is established as a useful criterium to test the convergence of the calculation. We finally discuss the dynamics of electronic and nuclear motions of pairs of Rydberg atoms, focusing on the stability of ultralong range Rydberg molecules with respect to autoionization.

  20. Atomically resolved graphitic surfaces in air by atomic force microscopy.

    Science.gov (United States)

    Wastl, Daniel S; Weymouth, Alfred J; Giessibl, Franz J

    2014-05-27

    Imaging at the atomic scale using atomic force microscopy in biocompatible environments is an ongoing challenge. We demonstrate atomic resolution of graphite and hydrogen-intercalated graphene on SiC in air. The main challenges arise from the overall surface cleanliness and the water layers which form on almost all surfaces. To further investigate the influence of the water layers, we compare data taken with a hydrophilic bulk-silicon tip to a hydrophobic bulk-sapphire tip. While atomic resolution can be achieved with both tip materials at moderate interaction forces, there are strong differences in force versus distance spectra which relate to the water layers on the tips and samples. Imaging at very low tip-sample interaction forces results in the observation of large terraces of a naturally occurring stripe structure on the hydrogen-intercalated graphene. This structure has been previously reported on graphitic surfaces that are not covered with disordered adsorbates in ambient conditions (i.e., on graphite and bilayer graphene on SiC, but not on monolayer graphene on SiC). Both these observations indicate that hydrogen-intercalated graphene is close to an ideal graphene sample in ambient environments.

  1. Precise atomic radiative lifetime via photoassociative spectroscopy of ultracold lithium

    NARCIS (Netherlands)

    McAlexander, W.I.; Abraham, E.R.I.; Ritchie, N.W.M.; Williams, C.J.; Stoof, H.T.C.; Hulet, R.G.

    1995-01-01

    We have obtained spectra of the high-lying vibrational levels of the 13Σg+ state of 6Li2 via photoassociation of ultracold 6Li atoms confined in a magneto-optical trap. The 13Σg+ state of the diatomic molecule correlates to a 2S1/2 state atom plus a 2P1/2 state atom. The long-range part of the molec

  2. The atomic orbitals of the topological atom.

    Science.gov (United States)

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  3. "Bohr's Atomic Model."

    Science.gov (United States)

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  4. Mn K-edge XANES spectra of manganites measured by Kbeta emission.

    Science.gov (United States)

    García, J; Sánchez, M C; Subías, G; Blasco, J; Proietti, M G

    2001-03-01

    The electronic state of Mn atoms in mixed valence manganites has been studied by means of X-ray absorption spectroscopy at the Mn K-edge. Higher resolution than in conventional measurements has been achieved by measuring the Mn Kbeta fluorescence line. We have found a unique resonance at the edge in the XANES spectra of intermediate composition RE1-xCa(x)MnO3 samples. The features of these XANES spectra do not depend on small changes in the local structure around the Mn atom. However, the spectra of the intermediate composition samples can not be reproduced by a linear combination of REMnO3 and CaMnO3 spectra. Accordingly, the electronic state of Mn atoms in these compounds can not be considered as a mixture of Mn3+ and Mn4+ pure states.

  5. Interatomic scattering in energy dependent photoelectron spectra of Ar clusters

    Energy Technology Data Exchange (ETDEWEB)

    Patanen, M.; Benkoula, S.; Nicolas, C.; Goel, A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Antonsson, E. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Physikalische und Theoretische Chemie Institut für Chemie und Biochemie, Fachbereich Biologie, Chemie, Pharmazie, Freie Universität Berlin, Takustrasse 3, 14195 Berlin (Germany); Neville, J. J. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2 (Canada); Miron, C., E-mail: Catalin.Miron@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Extreme Light Infrastructure - Nuclear Physics (ELI-NP), ‘Horia Hulubei’ National Institute for Physics and Nuclear Engineering, 30 Reactorului Street, RO-077125 Măgurele, Jud. Ilfov (Romania)

    2015-09-28

    Soft X-ray photoelectron spectra of Ar 2p levels of atomic argon and argon clusters are recorded over an extended range of photon energies. The Ar 2p intensity ratios between atomic argon and clusters’ surface and bulk components reveal oscillations similar to photoelectron extended X-ray absorption fine structure signal (PEXAFS). We demonstrate here that this technique allows us to analyze separately the PEXAFS signals from surface and bulk sites of free-standing, neutral clusters, revealing a bond contraction at the surface.

  6. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

    Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

  7. Cold Matter Assembled Atom-by-Atom

    CERN Document Server

    Endres, Manuel; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D

    2016-01-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a novel platform for the deterministic preparation of regular arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of over 50 atoms in less than 400 ms. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach enables controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  8. Highly Dense Isolated Metal Atom Catalytic Sites

    DEFF Research Database (Denmark)

    Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei

    2015-01-01

    Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X......-ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation...

  9. Photonic Band Gap Structures with Periodically Arranged Atoms in a Two-Dimensional Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    LI Zhi-Yu; CHEN Fang; ZHOU Jian-Ying

    2005-01-01

    @@ Linear transmission, reflection and absorption spectra for a new two-dimensional photonic crystal with periodically arranged resonant atoms are examined. Numerical results show that a twin-gap structure with forbidden bands displaced from a non-doped bandgap structure can be produced as a result of atomic polarization. The absorption spectrum is also significantly altered compared to the single atom entity.

  10. Universality of Vibrational Spectra of Globular Proteins

    CERN Document Server

    Na, Hyuntae; ben-Avraham, Daniel

    2015-01-01

    It is shown that the density of modes of the vibrational spectrum of globular proteins is universal, i.e., regardless of the protein in question it closely follows one universal curve. The present study, including 135 proteins analyzed with a full atomic empirical potential (CHARMM22) and using the full complement of all atoms Cartesian degrees of freedom, goes far beyond confirming previous claims of universality, finding that universality holds even in the high-frequency range (300- 4000 1/cm), where peaks and turns in the density of states are faithfully reproduced from one protein to the next. We also characterize fluctuations of the spectral density from the average, paving the way to a meaningful discussion of rare, unusual spectra and the structural reasons for the deviations in such "outlier" proteins. Since the method used for the derivation of the vibrational modes (potential energy formulation, set of degrees of freedom employed, etc.) has a dramatic effect on the spectral density, another signific...

  11. Electronic Spectra from TDDFT and Machine Learning in Chemical Space

    CERN Document Server

    Ramakrishnan, Raghunathan; Tapavicza, Enrico; von Lilienfeld, O Anatole

    2015-01-01

    Due to its favorable computational efficiency time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in high-throughput fashion across chemical space. Unfortunately, its predictions can be inaccurate. Machine learning models can resolve this issue when trained on deviations of reference coupled-cluster singles and doubles (CC2) spectra from TDDFT excitation energies, or even from DFT gap. Numerical evidence is produced for the low-lying singlet-singlet vertical electronic spectra of over 20 thousand diverse and synthetically feasible organic molecules with up to eight CONF atoms. Out-of-sample prediction errors decay monotonously as a function of training set size. For a training set of 10 thousand molecules, CC2 excitation energies can be reproduced within $\\pm$0.1 eV. Analysis of our spectral database with chromophore counting suggests that even higher accuracies can be achieved. We discuss open challenges associated with data-driven modeling of transition intensiti...

  12. Reflectance anisotropy spectra of CdTe(001) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez-Nava, R.A.; Arzate, N.; Mendoza, B.S. [Photonics Division, Centro de Investigaciones en Optica A. C., Leon, Guanajuato (Mexico)

    2010-08-15

    We present first-principles calculations of reflectance anisotropy spectra (RAS) of the more common CdTe(001) surface reconstructions: Te-terminated (2 x 1) and Cd-terminated (2 x 1) and c(2 x 2). The last two reconstructions with a Cd coverage of half atomic layers. Calculations have been performed by using the density-functional formalism within the local-density approximation + scissors corrections. The electron-ion interaction has been modeled by ab initio, relativistic norm-conserving pseudopotentials. We have also calculated RAS spectra using a semi-empirical tight binding method (SETB) within a sp{sup 3} s{sup *} basis. We show RAS of each surface reconstruction and compare our theoretical results with experimental results reported in the literature and we found a good agreement between experimental and theoretical spectra for the (2 x 1) reconstructions. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  13. Absorption Spectra of Astaxanthin Aggregates

    CERN Document Server

    Olsina, Jan; Minofar, Babak; Polivka, Tomas; Mancal, Tomas

    2012-01-01

    Carotenoids in hydrated polar solvents form aggregates characterized by dramatic changes in their absorption spectra with respect to monomers. Here we analyze absorption spectra of aggregates of the carotenoid astaxanthin in hydrated dimethylsulfoxide. Depending on water content, two types of aggregates were produced: H-aggregates with absorption maximum around 390 nm, and J-aggregates with red-shifted absorption band peaking at wavelengths >550 nm. The large shifts with respect to absorption maximum of monomeric astaxanthin (470-495 nm depending on solvent) are caused by excitonic interaction between aggregated molecules. We applied molecular dynamics simulations to elucidate structure of astaxanthin dimer in water, and the resulting structure was used as a basis for calculations of absorption spectra. Absorption spectra of astaxanthin aggregates in hydrated dimethylsulfoxide were calculated using molecular exciton model with the resonance interaction energy between astaxanthin monomers constrained by semi-e...

  14. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

  15. Atomic transition probabilities of Gd i

    Science.gov (United States)

    Lawler, J. E.; Bilty, K. A.; Den Hartog, E. A.

    2011-05-01

    Fourier transform spectra are used to determine emission branching fractions for 1290 lines of the first spectrum of gadolinium (Gd i). These branching fractions are converted to absolute atomic transition probabilities using previously reported radiative lifetimes from time-resolved laser-induced-fluorescence measurements (Den Hartog et al 2011 J. Phys. B: At. Mol. Opt. Phys. 44 055001). The wavelength range of the data set is from 300 to 1850 nm. A least squares technique for separating blends of the first and second spectra lines is also described and demonstrated in this work.

  16. Absorption spectra of alkali-C₆₀ nanoclusters.

    Science.gov (United States)

    Rabilloud, Franck

    2014-10-28

    We investigate the absorption spectra of alkali-doped C60 nanoclusters, namely C60Nan, C60Kn, and C60Lin, with n = 1, 2, 6, 12, in the framework of the time-dependent density-functional theory (TDDFT). We study the dependence of the absorption spectra on the nature of the alkali. We show that in few cases the absorption spectra depend on the arrangement of the alkali atoms over the fullerene, though sometimes the absorption spectra do not allow us to distinguish between different configurations. When only one or two alkali atoms are adsorbed on the fullerene, the optical response of alkali-doped C60 is similar to that of the anion C60(-) with a strong response in the UV domain. In contrast, for higher concentration of alkali, a strong optical response is predicted in the visible range, particularly when metal-metal bonds are formed. The weak optical response of the I(h)-symmetry C60Li12 is proposed to be used as a signature of its structure.

  17. Optical Frequency Comb Spectroscopy of Rare Earth Atoms

    Science.gov (United States)

    Swiatlowski, Jerlyn; Palm, Christopher; Joshi, Trinity; Montcrieffe, Caitlin; Jackson Kimball, Derek

    2013-05-01

    We discuss progress in our experimental program to employ optical-frequency-comb-based spectroscopy to understand the complex spectra of rare-earth atoms. We plan to carry out systematic measurements of atomic transitions in rare-earth atoms to elucidate the energy level structure and term assignment and determine presently unknown atomic state parameters. This spectroscopic information is important in view of the increasing interest in rare-earth atoms for atomic frequency standards, in astrophysical investigations of chemically peculiar stars, and in tests of fundamental physics (tests of parity and time-reversal invariance, searches for time variation of fundamental constants, etc.). We are presently studying the use of hollow cathode lamps as atomic sources for two-photon frequency comb spectroscopy. Supported by the National Science Foundation under grant PHY-0958749.

  18. Atom-Light Interactions in Photonic Crystals

    CERN Document Server

    Goban, A; Yu, S -P; Hood, J D; Muniz, J A; Lee, J H; Martin, M J; McClung, A C; Choi, K S; Chang, D E; Painter, O; Kimble, H J

    2013-01-01

    The integration of nanophotonics and atomic physics has been a long-sought goal that would open new frontiers for optical physics. Here, we report the development of the first integrated optical circuit with a photonic crystal capable of both localizing and interfacing atoms with guided photons in the device. By aligning the optical bands of a photonic crystal waveguide (PCW) with selected atomic transitions, our platform provides new opportunities for novel quantum transport and many-body phenomena by way of photon-mediated atomic interactions along the PCW. From reflection spectra measured with average atom number N = 1.1$\\pm$0.4, we infer that atoms are localized within the PCW by Casimir-Polder and optical dipole forces. The fraction of single-atom radiative decay into the PCW is $\\Gamma_{\\rm 1D}/\\Gamma'$ = 0.32$\\pm$0.08, where $\\Gamma_{1D}$ is the rate of emission into the guided mode and $\\Gamma'$ is the decay rate into all other channels. $\\Gamma_{\\rm 1D}/\\Gamma'$ is quoted without enhancement due to a...

  19. Applicability of Rydberg atoms to quantum computers

    Science.gov (United States)

    Ryabtsev, Igor I.; Tretyakov, Denis B.; Beterov, Ilya I.

    2005-01-01

    The applicability of Rydberg atoms to quantum computers is examined from an experimental point of view. In many recent theoretical proposals, the excitation of atoms into highly excited Rydberg states was considered as a way to achieve quantum entanglement in cold atomic ensembles via dipole-dipole interactions that could be strong for Rydberg atoms. Appropriate conditions to realize a conditional quantum phase gate have been analysed. We also present the results of modelling experiments on microwave spectroscopy of single- and multi-atom excitations at the one-photon 37S1/2 → 37P1/2 and two-photon 37S1/2 → 38S1/2 transitions in an ensemble of a few sodium Rydberg atoms. The microwave spectra were investigated for various final states of the ensemble initially prepared in its ground state. The results may be applied to the studies on collective laser excitation of ground-state atoms aiming to realize quantum gates.

  20. Atom Lithography with a Chromium Atomic Beam

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wen-Tao; LI Tong-Bao

    2006-01-01

    @@ Direct write atom lithography is a new technique in which resonant light is used to pattern an atomic beam and the nanostructures are formed when the atoms deposit on the substrate. We design an experiment setup to fabricate chromium nanolines by depositing an atomic beam of 52 Cr through an off-resonant laser standing wave with the wavelength of 425.55 nm onto a silicon substrate. The resulting nanolines exhibit a period of 215 ± 3 nm with height of 1 nm.

  1. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  2. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  3. Qualitative interpretation of galaxy spectra

    CERN Document Server

    Almeida, J Sanchez; Terlevich, E; Fernandes, R Cid; Morales-Luis, A B

    2012-01-01

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis, and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is of general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7 (SDSS-DR7), thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to HII galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. A number of byprodu...

  4. Accelerated Fitting of Stellar Spectra

    CERN Document Server

    Ting, Yuan-Sen; Rix, Hans-Walter

    2016-01-01

    Stellar spectra are often modeled and fit by interpolating within a rectilinear grid of synthetic spectra to derive the stars' labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of parameters separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach -- CHAT (Convex Hull Adaptive Tessellation) -- which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock datasets demonstrate that CHAT can reduce the number of required synthetic model calculations by...

  5. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

    2012-09-10

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  6. Ultraviolet Synthetic Spectra for Three Lambda Bootis Stars

    Science.gov (United States)

    Cheng, Kwang-Ping; Neff, James E.; Gray, Richard O.; Corbally, Christopher J.; Johnson, Dustin; Tarbell, Erik

    2015-01-01

    Lambda Boo-type stars are a group of late B to early F-type Population I dwarfs that show mild to extreme deficiencies of iron-peak elements (up to 2 dex), but their C, N, O, and S abundances are near solar. We show that the International Ultraviolet Explorer (IUE) spectra (1280-3200 A) of Lambda Bootis, 29 Cygni (a "confirmed" Lambda Boo star), and Vega (a "mild" Lambda Boo star) can be fit remarkably well by single-temperature synthetic spectra. We computed the full resolution synthetic ultraviolet (UV) spectrum covering the IUE wavelength range using Gray's Stellar Spectral Synthesis Program SPECTRUM. To improve the synthetic spectra, we generated a grid of LTE atmosphere models with the appropriate stellar parameters using ATLAS9 and the existing Castelli and Kurucz 2004 models. One of the improvements of their opacity distribution functions (ODFs) is the addition to the line blanketing near 1400 A and 1600 A by the quasi-molecular absorptions of atomic hydrogen undergoing collisions with protons and other neutral hydrogen atoms. New-ODF fluxes reproduce the ultraviolet observations of Lambda Boo stars in a more realistic way than previous computations. We also constructed our own UV line list for the relevant set of absorption features. Modeling the UV line spectra of Lambda Boo stars allows us to confirm their published surface abundances, including CNO and the iron group elements. It also provides further insight into their photospheric conditions (e.g., Teff, log g, [M/H], micro turbulent velocity, etc.). About 40 percent of the published Lambda Boo candidates have existing IUE spectra. We plan to follow this pilot study and perform UV spectral synthesis for all of them.

  7. Presenting the Bohr Atom.

    Science.gov (United States)

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  8. Optimum Metallic-Bond Scheme: A Quantitative Analysis of Mass Spectra of Sodium Clusters

    Institute of Scientific and Technical Information of China (English)

    苏长荣; 李家明

    2001-01-01

    Based on the results of the optimum metallic-bond scheme for sodium clusters, we present a quantitative analysis of the detailed features of the mass spectra of sodium clusters. We find that, in the generation of sodium clusters with various abundances, the quasi-steady processes through adding or losing a sodium atom dominate. The quasi-steady processes through adding or losing a sodium dimer are also important to understand the detailed features of mass spectra for small clusters.

  9. Atomic Storage States

    Institute of Scientific and Technical Information of China (English)

    汪凯戈; 朱诗尧

    2002-01-01

    We present a complete description of atomic storage states which may appear in the electromagnetically induced transparency (EIT). The result shows that the spatial coherence has been included in the atomic collective operators and the atomic storage states. In some limits, a set of multimode atomic storage states has been established in correspondence with the multimode Fock states of the electromagnetic field. This gives a better understanding of the fact that, in BIT, the optical coherent information can be preserved and recovered.

  10. Atoms Talking to SQUIDs

    CERN Document Server

    Hoffman, J E; Kim, Z; Wood, A K; Anderson, J R; Dragt, A J; Hafezi, M; Lobb, C J; Orozco, L A; Rolston, S L; Taylor, J M; Vlahacos, C P; Wellstood, F C

    2011-01-01

    We present a scheme to couple trapped $^{87}$Rb atoms to a superconducting flux qubit through a magnetic dipole transition. We plan to trap atoms on the evanescent wave outside an ultrathin fiber to bring the atoms to less than 10 $\\mu$m above the surface of the superconductor. This hybrid setup lends itself to probing sources of decoherence in superconducting qubits. Our current plan has the intermediate goal of coupling the atoms to a superconducting LC resonator.

  11. Single Atom Plasmonic Switch

    OpenAIRE

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individ...

  12. Atomic Scale Plasmonic Switch

    OpenAIRE

    Emboras, A.; Niegemann, J.; Ma, P.; Haffner, C; Pedersen, A.; Luisier, M.; Hafner, C.; Schimmel, T.; Leuthold, J.

    2016-01-01

    The atom sets an ultimate scaling limit to Moore’s law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocat...

  13. Universal Behavior in Dirac Spectra

    CERN Document Server

    Verbaarschot, J J M

    1997-01-01

    In these lectures we review recent results on universal fluctuations of QCD Dirac spectra and applications of Random Matrix Theory (RMT) to QCD. We review general properties of Dirac spectra and discuss the relation between chiral symmetry breaking and correlations of Dirac eigenvalues. In particular, we will focus on the microscopic spectral density density, i.e. the spectral density near zero virtuality on the scale of a typical level spacing. The relation with Leutwyler-Smilga sum-rules will be discussed. The success of applications of RMT to spectra of 'complex' systems leads us to the introduction of a chiral Random Matrix Theory (chRMT) with the global symmetries of the QCD partition function. Our central conjecture is that it decribes correlations of QCD Dirac spectra. We will review recent universality proofs supporting this conjecture. Lattice QCD results for the microscopic spectral density and for correlations in the bulk of the spectrum are shown to be in perfect agreement with chRMT. We close wit...

  14. Spectra of sodium aluminate solutions

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The UV spectra of sodium aluminate solutions were obtained in the sodium oxide concentration range from 59 to 409 g/L and the caustic ratio range from 1.5 to 4.0 to reveal the structure characteristics of them. It is found that a new peak appears at about 370 nm besides peaks at about 220 and 266 nm in all solutions. The new peak is strongly favored by high hydroxide concentration and high caustic ratio. And it only appears when the solutions are prepared by dissolving sodium hydroxide and aluminum hydroxide.In addition, the IR and Raman spectra of sodium aluminate solutions with high alkali concentration and high caustic ratio were measured, and the UV spectra of aqueous solutions of Al(H2O)63+ and AlF63- were measured as well. According to the crystal field theory in coordination chemistry as well as the above spectra characteristics, this new peak at about 370 nm is determined as the evidence of a new species of aluminate ion with a coordination number of 6.

  15. Vibrational spectra of ordered perovskites

    NARCIS (Netherlands)

    Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

    1972-01-01

    The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

  16. Gallery of Planetary Nebula Spectra

    CERN Document Server

    Kwitter, K B; Kwitter, Karen B.; Henry, Richard B.C.

    2006-01-01

    We present the Gallery of Planetary Nebula Spectra now available at http://oitwilliams.edu/nebulae. The website offers high-quality, moderate resolution (~7-10 A FWHM) spectra of 128 Galactic planetary nebulae from 3600-9600 A, obtained by Kwitter, Henry, and colleagues with the Goldcam spectrograph at the KPNO 2.1-m or with the RC spectrograph at the CTIO 1.5-m. The master PN table contains atlas data and an image link. A selected object's spectrum is displayed in a zoomable window; line identification templates are provided. In addition to the spectra themselves, the website also contains a brief discussion of PNe as astronomical objects and as contributors to our understanding of stellar evolution. We envision that this website, which concentrates a large amount of data in one place, will be of interest to a variety of users: researchers might need to check the spectrum of a particular object of interest; the non-specialist astronomer might simply be interested in perusing such a collection of spectra; and...

  17. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  18. Squeezed States and Helmholtz Spectra

    CERN Document Server

    Francisco Delgado, C; Reyes, M A; Mielnik, Bogdan; Reyes, Marco A

    1997-01-01

    The 'classical interpretation' of the wave function psi(x) reveals an interesting operational aspect of the Helmholtz spectra. It is shown that the traditional Sturm-Liouville problem contains the simplest key to predict the squeezing effect for charged particle states.

  19. Atomic Data Needs for X-ray Astronomy

    Science.gov (United States)

    Bautista, Manuel A. (Editor); Kallman, Timothy R. (Editor); Pradhan, Anil K. (Editor)

    2000-01-01

    This publication contains written versions of most of the invited talks presented at the workshop on "Atomic Data Needs for X-ray Astronomy," which was held at NASA's Goddard Space Flight Center on December 16-17, 1999. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters, Spectra Modeling, and Atomic Databases. These proceedings are expected to be of interest to producers and users of atomic data. Moreover, the contributions presented here have been written in a way that can be used by a general audience of scientists and graduate students in X-ray astronomy, modelling, and in computational and experimental atomic physics.

  20. L-shell Auger and Coster-Kronig spectra from relativistic theory

    Science.gov (United States)

    Chen, M. H.; Crasemann, B.; Aoyagi, M.; Mark, H.

    1979-01-01

    The intensities of L-shell Auger and Coster-Kronig transitions in heavy atoms have been calculated relativistically. A detailed comparison is made with measured Auger spectra of Pt and U. The pertinent transition energies were computed from relativistic wave functions with inclusion of the Breit interaction, self-energy, a vacuum-polarization correction, and complete atomic relaxation. Multiplet splitting is found to distribute Auger electrons from certain transitions among several lines. The analysis leads to reassignment of a number of lines in the measured spectra. Lines originally identified as L2-L3Ni in the U spectrum are shown to arise from M4,5 Auger transitions instead.

  1. Infrared spectra and structures of anionic complexes of cobalt with carbon dioxide ligands.

    Science.gov (United States)

    Knurr, Benjamin J; Weber, J Mathias

    2014-06-12

    We present infrared photodissociation spectra of [Co(CO2)n](-) ions (n = 3-11) in the wavenumber region 1000-2400 cm(-1), interpreted with the aid of density functional theory calculations. The spectra are dominated by the signatures of a core ion showing bidentate interaction of two CO2 ligands with the Co atom, each forming C-Co and O-Co bonds. This structural motif is very robust and is only weakly affected by solvation with additional CO2 solvent molecules. The Co atom is in oxidation state +1, and both CO2 ligands carry a negative charge.

  2. Spectroscopic Studies of Atomic and Molecular Processes in the Edge Region of Magnetically Confined Fusion Plasmas

    Science.gov (United States)

    Hey, J. D.; Brezinsek, S.; Mertens, Ph.; Unterberg, B.

    2006-12-01

    Edge plasma studies are of vital importance for understanding plasma-wall interactions in magnetically confined fusion devices. These interactions determine the transport of neutrals into the plasma, and the properties of the plasma discharge. This presentation deals with optical spectroscopic studies of the plasma boundary, and their rôle in elucidating the prevailing physical conditions. Recorded spectra are of four types: emission spectra of ions and atoms, produced by electron impact excitation and by charge-exchange recombination, atomic spectra arising from electron impact-induced molecular dissociation and ionisation, visible spectra of molecular hydrogen and its isotopic combinations, and laser-induced fluorescence (LIF) spectra. The atomic spectra are strongly influenced by the confining magnetic field (Zeeman and Paschen-Back effects), which produces characteristic features useful for species identification, temperature determination by Doppler broadening, and studies of chemical and physical sputtering. Detailed analysis of the Zeeman components in both optical and LIF spectra shows that atomic hydrogen is produced in various velocity classes, some related to the relevant molecular Franck-Condon energies. The latter reflect the dominant electron collision processes responsible for production of atoms from molecules. This assignment has been verified by gas-puffing experiments through special test limiters. The higher-energy flanks of hydrogen line profiles probably also show the influence of charge-exchange reactions with molecular ions accelerated in the plasma sheath (`scrape-off layer') separating limiter surfaces from the edge plasma, in analogy to acceleration in the cathode-fall region of gas discharges. While electron collisions play a vital rôle in generating the spectra, ion collisions with excited atomic radiators act through re-distribution of population among the atomic fine-structure sublevels, and momentum transfer to the atomic nuclei

  3. Simultaneous magneto-optical trapping of lithium and ytterbium atoms towards production of ultracold polar molecules

    CERN Document Server

    Okano, M; Muramatsu, M; Doi, K; Uetake, S; Takasu, Y; Takahashi, Y

    2009-01-01

    We have successfully implemented the first simultaneous magneto-optical trapping (MOT) of lithium ($^6$Li) and ytterbium ($^{174}$Yb) atoms, towards production of ultracold polar molecules of LiYb. For this purpose, we developed the dual atomic oven which contains both atomic species as an atom source and successfully observed the spectra of the Li and Yb atoms in the atomic beams from the dual atomic oven. We constructed the vacuum chamber including the glass cell with the windows made of zinc selenium (ZnSe) for the CO$_2$ lasers, which are the useful light sources of optical trapping for evaporative and sympathetic cooling. Typical atom numbers and temperatures in the compressed MOT are 7$\\times10^3$ atoms, 640 $\\mu$K for $^6$Li, 7$\\times10^4$ atoms and 60 $\\mu$K for $^{174}$Yb, respectively.

  4. Coherent Forward Broadening in Cold Atom Clouds

    CERN Document Server

    Sutherland, R T

    2015-01-01

    It is shown that homogeneous line-broadening in a diffuse cold atom cloud is proportional to the resonant optical depth of the cloud. Further, it is demonstrated how the strong directionality of the coherent interactions causes the cloud's spectra to depend strongly on its shape, even when the cloud is held at constant densities. These two numerical observations can be predicted analytically by extending the single photon wave-function model. Lastly, elongating a cloud along the line of laser propagation causes the excitation probability distribution to deviate from the exponential decay predicted by the Beer-Lambert law to the extent where the atoms in the back of the cloud are more excited than the atoms in the front. These calculations are conducted at low densities relevant to recent experiments.

  5. Atom-light interactions in quasi-one-dimensional nanostructures: A Green's-function perspective

    Science.gov (United States)

    Asenjo-Garcia, A.; Hood, J. D.; Chang, D. E.; Kimble, H. J.

    2017-03-01

    Based on a formalism that describes atom-light interactions in terms of the classical electromagnetic Green's function, we study the optical response of atoms and other quantum emitters coupled to one-dimensional photonic structures, such as cavities, waveguides, and photonic crystals. We demonstrate a clear mapping between the transmission spectra and the local Green's function, identifying signatures of dispersive and dissipative interactions between atoms. We also demonstrate the applicability of our analysis to problems involving three-level atoms, such as electromagnetically induced transparency. Finally we examine recent experiments, and anticipate future observations of atom-atom interactions in photonic band gaps.

  6. Phobos surface spectra mineralogical modeling

    Science.gov (United States)

    Pajola, M.; Lazzarin, M.; Dalle Ore, C. M.; Cruikshank, D. P.; Roush, T. L.; Pendleton, Y.; Bertini, I.; Magrin, S.; Carli, C.; La Forgia, F.; Barbieri, C.

    2014-04-01

    A mineralogical model composed of a mixture of Tagish Lake meteorite (TL) and Pyroxene Glass (PM80) was presented in [1] to explain the surface reflectance of Phobos from 0.25 to 4.0 μm. The positive results we obtained, when comparing the OSIRIS data [2] extended in wavelength to include the [3,4] spectra, forced us to perform a wider comparison between our TL-PM80 model and the CRISM and OMEGA Phobos spectra presented in [5]. Such spectra cover three different regions of interest (ROIs) situated in the Phobos sub-Mars hemisphere: the interior of the Stickney crater, its eastern rim, and its proximity terrain southeast of the Reldresal crater. We decided to vary the percentage mixture of the components of our model (80% TL, 20% PM80), between pure TL and pure PM80, by means of the radiative transfer code based on the [6] formulation of the slab approximation. Once this spectral range was derived, see Fig. 1, we attempted to compare it with the [5] spectra between 0.4 and 2.6 μm, i.e. below the thermal emitted radiation, to see if any spectral match was possible. We observed that CRISM scaled spectra above 1.10 μm fall within pure Tagish Lake composition and the [1] model. The CRISM data below 1.10 μm present more discrepancies with our models, in particular for the Stickney's rim spectrum. Nevertheless the TL and PM80 components seem to be good mineralogical candidates on Phobos. We performed the same analysis with the OMEGA data and, again, we found out that the Stickney's rim spectrum lies out of our model range, while the two remaining spectra still lie between pure TL and 80% TL - 20% PM80, but indicating that a different, more complicated mixture is expected in order to explain properly both the spectral trend and the possible absorption bands located above 2.0 μm. Within this analysis, we point out that a big fraction of TL material (modeled pure or present with a minimum percentage of 80% mixed together with 20% PM80) seems to explain Phobos spectral

  7. Single Atom Plasmonic Switch

    CERN Document Server

    Emboras, Alexandros; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individual or at most - a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ration of 10 dB and operation at room temperature with femtojoule (fJ) power consumption for a single switch operation. This demonstration of a CMOS compatible, integrated quantum device allowing to control photons at the single-atom level opens intriguing perspectives for a fully i...

  8. AtomDB and PyAtomDB: Atomic Data and Modelling Tools for High Energy and Non-Maxwellian Plasmas

    Science.gov (United States)

    Foster, Adam; Smith, Randall K.; Brickhouse, Nancy S.; Cui, Xiaohong

    2016-04-01

    The release of AtomDB 3 included a large wealth of inner shell ionization and excitation data allowing accurate modeling of non-equilibrium plasmas. We describe the newly calculated data and compare it to published literature data. We apply the new models to existing supernova remnant data such as W49B and N132D. We further outline progress towards AtomDB 3.1, including a new energy-dependent charge exchange cross sections.We present newly developed models for the spectra of electron-electron bremsstrahlung and those due to non-Maxwellian electron distributions.Finally, we present our new atomic database access tools, released as PyAtomDB, allowing powerful use of the underlying fundamental atomic data as well as the spectral emissivities.

  9. Raman spectra and XPS studies of phase changes in Ge2Sb2Te5 films

    Institute of Scientific and Technical Information of China (English)

    Liu Bo; Song Zhi-Tang; Zhang Ting; Feng Song-Lin; Chen Bomy

    2004-01-01

    Ge2Sb2Te5 film was deposited by RF magnetron sputtering on Si (100) substrate. The structure of amorphous and crystalline Ge2Sb2Te5 thin films was investigated using XRD, Raman spectra and XPS. XRD measurements revealed the existence of two different crystalline phases, which has a FCC structure and a hexagonal structure, respectively.The broad peak in the Raman spectra of amorphous Ge2Sb2Te5 film is due to the amorphous -Te-Te- stretching. As the annealing temperature increases, the broad peak separates into two peaks, which indicates that the heteropolar bond in GeTe4 and the Sb-Sb bond are connected with four Te atoms, and other units such as (TeSb) Sb-Sb (Te2)and (Sb2) Sb-Sb (Te2), where some of the four Te atoms in the above formula are replaced by Sb atoms, remain in crystalline Ge2Sb2Te5 thin film. And from the results of Raman spectra and XPS, higher the annealing temperature,more Te atoms bond to Ge atoms and more Sb atoms substitute Te in (Te2) Sb-Sb (Te2).

  10. CO2 laser photoacoustic spectra and vibrational modes of heroin, morphine and narcotine

    Indian Academy of Sciences (India)

    R L Prasad; S N Thakur; G C Bhar

    2002-09-01

    Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 m and 10.6 m regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low resolution IR spectra. The ab initio quantum chemical calculations were used for determining the molecular geometries and normal mode frequencies of vibrations of these molecules for assignments of PA spectra.

  11. Quadrupolar magic angle spinning NMR spectra fitted using the Pearson IV function.

    Science.gov (United States)

    Mironenko, Roman M; Belskaya, Olga B; Talsi, Valentin P; Likholobov, Vladimir A

    2014-01-01

    The Pearson IV function was used to fit the asymmetric solid-state (27)Al NMR spectra of alumina based catalysts. A high convergence (correlation coefficient is no less than 0.997) between experimental and simulated spectra was achieved. The decomposition of the (27)Al NMR spectra of zinc/aluminum mixed oxides with different Zn/Al molar ratio revealed an increased fraction (6-9%) of pentacoordinated aluminum atoms in these oxides as compared to γ-Al2O3. As the Zn/Al ratio is raised, the fraction of [AlO6] octahedral units decreases, while the fraction of [AlO4] tetrahedra increases.

  12. Eigenvectors of optimal color spectra.

    Science.gov (United States)

    Flinkman, Mika; Laamanen, Hannu; Tuomela, Jukka; Vahimaa, Pasi; Hauta-Kasari, Markku

    2013-09-01

    Principal component analysis (PCA) and weighted PCA were applied to spectra of optimal colors belonging to the outer surface of the object-color solid or to so-called MacAdam limits. The correlation matrix formed from this data is a circulant matrix whose biggest eigenvalue is simple and the corresponding eigenvector is constant. All other eigenvalues are double, and the eigenvectors can be expressed with trigonometric functions. Found trigonometric functions can be used as a general basis to reconstruct all possible smooth reflectance spectra. When the spectral data are weighted with an appropriate weight function, the essential part of the color information is compressed to the first three components and the shapes of the first three eigenvectors correspond to one achromatic response function and to two chromatic response functions, the latter corresponding approximately to Munsell opponent-hue directions 9YR-9B and 2BG-2R.

  13. Electronic spectra from TDDFT and machine learning in chemical space

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

    2015-08-28

    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

  14. Calculation of {beta}-ray spectra. Odd-odd nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering

    1996-05-01

    In order to study {beta}-ray of atomic nucleus, it is natural to consider {beta}-ray data fundamental and important. In a recent experiment, Rudstam measured {beta}-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on {beta}-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of {beta}-ray through decay heat for its various properties due to the general theory of the {beta}-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the {beta} spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)

  15. Transmission Spectra as Diagnostics of Extrasolar Giant Planet Atmospheres

    CERN Document Server

    Brown, T M

    2001-01-01

    Atmospheres of transiting extrasolar giant planets (EGPs) such as HD 209458 b must impose features on the spectra of their parent stars during transits; these features contain information about the physical conditions and chemical composition of the atmospheres. The most convenient observational index showing these features is the ``spectrum ratio'', defined as the wavelength-dependent ratio of spectra taken in and out of transit. I describe a model that estimates this ratio and its dependence upon parameters of the planetary atmosphere, including its cloud structure, temperature, chemical composition, and wind fields. For giant planets in close orbits, the depths of atomic and molecular features in the spectrum ratio may be as large as 0.001. Observations in visible and near-IR wavelengths using existing and planned spectrographs should be adequate to detect these features, and to provide some diagnostics of the conditions within the planetary atmosphere. I give numerous examples of such diagnostics, and I d...

  16. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations

    OpenAIRE

    2005-01-01

    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  17. Stability and electronic spectra of C76N2 isomers

    Institute of Scientific and Technical Information of China (English)

    TENG Qi-wen; WU Shi

    2005-01-01

    Study of geometries of 16 possible isomers for C76N2 based on C78(C2v) by intermediate neglect of differential overlap (INDO) series of methods indicated that the most stable geometry 25,78-C76N2 where two nitrogen atoms substitute two apexes C(25) and C(78) near the shortest X axis and Y axis formed by two hexagons and a pentagon. Electronic structures and spectra of C76N2 were investigated. The reason for the red-shift for absorptions of C76N2 compared with that of C78(C2v) is discussed.

  18. XRD spectra of new YBaCuO superconductors

    Indian Academy of Sciences (India)

    S Sujinnapram; P Udomsamuthirun; T Kruaehong; T Nilkamjon; S Ratreng

    2011-08-01

    XRD spectra of new YBaCuO superconductors were studied. There were 2 phases found in our samples, the superconducting phase and the non-superconducting phase. The more non-superconducting phase, the more anisotropy parameters were found. The amount of impurities have no effect on the value of -axis which has a linear relation to the number of Cu-atoms. So the new formula of YBaCuO are the new types of superconductor in this family that have higher -axis than the Y123.

  19. Experimental study of highly ionized spectra of titanium

    Institute of Scientific and Technical Information of China (English)

    YANG Zhihu; DU Shubin; SU Hong; ZHANG Yanping; REN Shouting; ZENG Xiantang

    2004-01-01

    The spectra of highly charged titanium ions produced by the interaction of 120 MeV titanium ions with carbon foil were investigated with the so-called beam-foil technique using the HI-13 tandem accelerator in China Institute of Atomic Energy. Spectral lines emitted from fifty- three excited energy levels were observed in the wavelength range 120-220(A), among which eleven lines were new. Our experimental results show good agreement with the results of laser plasma experiments, and are in reasonable agreement with theoretical calculations.

  20. Periodic Orbit Theory for Rydberg Atoms in External Fields

    Science.gov (United States)

    Dando, P. A.; Monteiro, T. S.; Owen, S. M.

    1998-03-01

    Although hydrogen in external fields is a paradigm for the application of periodic orbits and the Gutzwiller trace formula to a real system, the trace formula has never been applied successfully to other Rydberg atoms. We show that spectral fluctuations of general Rydberg atoms are given with remarkable precision by the addition of diffractive terms. Previously unknown features in atomic spectra are exposed: there are new modulations that are neither periodic orbits nor combinations of periodic orbits; ``core shadowing'' generally decreases primitive periodic orbit amplitudes but can also lead to increases.

  1. Periodic Orbit Theory for Rydberg Atoms in External Fields

    CERN Document Server

    Dando, P A; Owen, S M

    1998-01-01

    Although hydrogen in external fields is a paradigm for the application of periodic orbits and the Gutzwiller trace formula to a real system, the trace formula has never been applied successfully to other Rydberg atoms. We show that spectral fluctuations of general Rydberg atoms are given with remarkable precision by the addition of diffractive terms. Previously unknown features in atomic spectra are exposed: there are new modulations that are neither periodic orbits nor combinations of periodic orbits; `core-shadowing' generally decreases primitive periodic orbit amplitudes but can also lead to increases.

  2. Symposium on atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    1979-01-01

    Topics covered by the conference include: fast beam spectroscopy; astrophysical and other spectra; highly ionized spectroscopy; complex spectra; rydberg levels; fine structure, hyperfine structure and isotope shift; lineshapes; lifetimes, oscillator strengths and Einstein coefficients; and spectroscopy with lasers. Abstracts of the conference papers are presented. (GHT)

  3. Laser Spectroscopy of Antiprotonic Helium Atoms

    CERN Multimedia

    2002-01-01

    %PS205 %title\\\\ \\\\Following the discovery of metastable antiprotonic helium atoms ($\\overline{p}He^{+} $) at KEK in 1991, systematic studies of their properties were made at LEAR from 1991 to 1996. In the first two years the lifetime of $\\overline{p}He^{+}$ in liquid and gaseous helium at various temperatures and pressures was measured and the effect of foreign gases on the lifetime of these atoms was investigated. Effects were also discovered which gave the antiproton a 14\\% longer lifetime in $^4$He than in $^3$He, and resulted in important differences in the shape of the annihilation time spectra in the two isotopes.\\\\ \\\\Since 1993 laser spectroscopy of the metastable $\\overline{p}He^{+}$ atoms became the main focus of PS205. Transitions were stimulated between metastable and non-metastable states of the $\\overline{p}He^{+}$ atom by firing a pulsed dye laser beam into the helium target every time an identified metastable atom was present (Figure 1). If the laser frequency matched the transition energy, the...

  4. Atomic hydrogen interaction with Ru(1010).

    Science.gov (United States)

    Vesselli, E; Comelli, G; Rosei, R

    2004-05-01

    The interaction of atomic hydrogen with clean and deuterium precovered Ru(1010) was studied by means of temperature-programmed desorption (TPD) spectroscopy. Compared to molecular hydrogen experiments, after exposure of the clean surface to gas-phase atomic hydrogen at 90 K, two additional peaks grow in the desorption spectra at 115 and 150 K. The surface saturation coverage, determined by equilibrium between abstraction and adsorption reactions, is 2.5 monolayers. Preadsorbed deuterium abstraction experiments with gas-phase atomic hydrogen show that a pure Eley-Rideal mechanism is not involved in the process, while a hot atom (HA) kinetics describes well the reaction. By least-squares fitting of the experimental data, a simplified HA kinetic model yields an abstraction cross section value of 0.5 +/- 0.2 angstroms2. The atomic hydrogen interaction with an oxygen precovered surface was also studied by means of both TPD and x-ray photoelectron spectroscopy: oxygen hydrogenation and water production take place already at very low temperature (90 K).

  5. Theoretical analysis of the spectroscopy of atomic Bose-Hubbard systems

    Science.gov (United States)

    Inaba, Kensuke; Yamashita, Makoto

    2016-04-01

    We provide a numerical method to calculate comprehensively the microwave and the laser spectra of ultracold bosonic atoms in optical lattices at finite temperatures. Our formulation is built up with the sum rules, up to the second order, derived from the general principle of spectroscopy. The sum rule approach allows us to discuss the physical origins of a spectral peak shift and also a peak broadening. We find that a spectral broadening of superfluid atoms can be determined from number fluctuations of atoms, while that of normal-state atoms is mainly attributed to quantum fluctuations resulting from hopping of atoms. To calculate spectra at finite temperatures, based on the sum rule approach, we provide a two-mode approximation assuming that spectra of the superfluid and normal state atoms can be calculated separately. Our method can properly deal with multipeak structures of spectra resulting from thermal fluctuations and also coexisting of the superfluid and the normal states. By combining the two-mode approximation with a finite temperature Gutzwiller approximation, we calculate spectra at finite temperatures by considering realistic systems, and the calculated spectra show nice agreements with those in experiments.

  6. Atomic homodyne detection of weak atomic transitions.

    Science.gov (United States)

    Gunawardena, Mevan; Elliott, D S

    2007-01-26

    We have developed a two-color, two-pathway coherent control technique to detect and measure weak optical transitions in atoms by coherently beating the transition amplitude for the weak transition with that of a much stronger transition. We demonstrate the technique in atomic cesium, exciting the 6s(2)S(1/2) --> 8s(2)S(1/2) transition via a strong two-photon transition and a weak controllable Stark-induced transition. We discuss the enhancement in the signal-to-noise ratio for this measurement technique over that of direct detection of the weak transition rate, and project future refinements that may further improve its sensitivity and application to the measurement of other weak atomic interactions.

  7. The Software Atom

    CERN Document Server

    Javanainen, Juha

    2016-01-01

    By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary set of angular-momentum degenerate energy levels, arbitrary light fields, and an applied magnetic field. As an example, we develop and implement perturbation theory to compute the polarizability of an atom in an experimentally relevant situation.

  8. The Software Atom

    Science.gov (United States)

    Javanainen, Juha

    2017-03-01

    By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary set of angular-momentum degenerate energy levels, arbitrary light fields, and an applied magnetic field. As an example, we develop and implement perturbation theory to compute the polarizability of an atom in an experimentally relevant situation.

  9. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  10. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1995-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is promarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  11. Atomicity in Electronic Commerce,

    Science.gov (United States)

    1996-01-01

    tremendous demand for the ability to electronically buy and sell goods over networks. Electronic commerce has inspired a large variety of work... commerce . It then briefly surveys some major types of electronic commerce pointing out flaws in atomicity. We pay special attention to the atomicity...problems of proposals for digital cash. The paper presents two examples of highly atomic electronic commerce systems: NetBill and Cryptographic Postage Indicia.

  12. Ultracold Long-Range Rydberg Molecules with Complex Multichannel Spectra

    Science.gov (United States)

    Eiles, Matthew; Greene, Chris

    2016-05-01

    A generalized class of exotic long-range Rydberg molecules consisting of a multichannel Rydberg atom bound to a distant ground state atom by the Rydberg electron is predicted. These molecules are characterized by the rich physics provided by the strongly perturbed multichannel Rydberg spectra of divalent atoms, in contrast to the regular Rydberg series of the alkali atoms used to form Rydberg molecules to date. These multichannel Rydberg molecules exhibit favorable properties for laser excitation, because states exist where the quantum defect varies strongly with the principal quantum number n. In particular, the nd Rydberg state of calcium becomes nearly degenerate with states of high orbital angular momentum over the range 17 molecular states are predicted to occur in the low- J states of silicon, which are strongly perturbed due to channel interactions between Rydberg series leading to the spin-orbit split ionization thresholds. These interactions manifest themselves in potential curves exhibiting two distinct length scales, providing novel opportunities for quantum manipulation. Supported in part by the National Science Foundation under Grant No. PHY-1306905.

  13. K- and p¯ deeply bound atomic states

    Science.gov (United States)

    Friedman, E.; Gal, A.

    1999-12-01

    The strongly absorptive optical potentials Vopt which have been deduced from the strong-interaction level shifts and widths in X-ray spectra of K- and p¯ atoms produce effective repulsion leading to substantial suppression of the atomic wave functions within the nucleus. The width of atomic levels then saturates as function of the strength of Im Vopt. We find that `deeply bound' atomic states, which are inaccessible in the atomic cascade process, are generally narrow, due to this mechanism, over the entire periodic table and should be reasonably well resolved. These predictions are insensitive to Vopt, provided it was fitted to the observed X-ray spectra. In contrast, the nuclear states bound by Vopt are very broad and their spectrum depends sensitively on details of Vopt. We discuss production reactions for K- atomic states using slow K- mesons from the decay of the φ(1020) vector meson, and the ( p¯,p ) reaction for p¯ atomic states. Rough cross section estimates are given.

  14. Dephasing in an atom

    OpenAIRE

    2011-01-01

    When an atom in vacuum is near a surface of a dielectric the energy of a fluctuating electromagnetic field depends on a distance between them resulting, as known, in the force called van der Waals one. Besides this fluctuation phenomenon there is one associated with formation of a mean electric field which is equivalent to an order parameter. In this case atomic electrons are localized within atomic distances close to the atom and the total ground state energy is larger, compared to the bare ...

  15. Low-excitation atomic gas around evolved stars I. ISO observations of C-rich nebulae

    NARCIS (Netherlands)

    Fong, D; Meixner, M; Castro-Carrizo, A; Bujarrabal, [No Value; Latter, WB; Tielens, AGGM; Kelly, DM; Sutton, EC

    2001-01-01

    We present ISO LWS and SWS spectra of far-infrared (FIR) atomic fine structure lines in 12 carbon-rich evolved stars including asymptotic giant branch (AGB) stars, proto-planetary nebulae (PPNe) and planetary nebulae (PNe). The spectra include grating and Fabry-Perot measurements of the line emissio

  16. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    Science.gov (United States)

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  17. Hyperfine structure in photoassociative spectra of 6Li2 and 7Li2

    NARCIS (Netherlands)

    Abraham, E.R.I.; McAlexander, W.I.; Stoof, H.T.C.; Hulet, R.G.

    1996-01-01

    We present spectra of hyperfine resolved vibrational levels of the A1Σu+and 1 3Σg+ states of 6Li2 and 7Li2 obtained via photoassociation of colliding ultracold atoms in a magneto-optical trap. A simple first-order perturbation theory analysis accurately accounts for the frequency splittings and rela

  18. Rotational spectra and molecular structure

    CERN Document Server

    Wollrab, James E

    1967-01-01

    Physical Chemistry, A Series of Monographs: Rotational Spectra and Molecular Structure covers the energy levels and rotational transitions. This book is divided into nine chapters that evaluate the rigid asymmetric top molecules and the nuclear spin statistics for asymmetric tops. Some of the topics covered in the book are the asymmetric rotor functions; rotational transition intensities; classes of molecules; nuclear spin statistics for linear molecules and symmetric tops; and classical appearance of centrifugal and coriolis forces. Other chapters deal with the energy levels and effects of ce

  19. Gamma-ray burst spectra

    Science.gov (United States)

    Teegarden, B. J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events.

  20. Analysing degeneracies in networks spectra

    CERN Document Server

    Marrec, Loïc

    2016-01-01

    Many real-world networks exhibit a high degeneracy at few eigenvalues. We show that a simple transformation of the network's adjacency matrix provides an understanding of? the origins of occurrence of high multiplicities in the networks spectra. We find that the eigenvectors associated with the degenerate eigenvalues shed light on the structures contributing to the degeneracy. Since these degeneracies are rarely observed in model graphs, we present results for various cancer networks. This approach gives an opportunity to search for structures contributing to degeneracy which might have an important role in a network.

  1. Evanescent Wave Atomic Mirror

    Science.gov (United States)

    Ghezali, S.; Taleb, A.

    2008-09-01

    A research project at the "Laboratoire d'électronique quantique" consists in a theoretical study of the reflection and diffraction phenomena via an atomic mirror. This poster presents the principle of an atomic mirror. Many groups in the world have constructed this type of atom optics experiments such as in Paris-Orsay-Villetaneuse (France), Stanford-Gaithersburg (USA), Munich-Heidelberg (Germany), etc. A laser beam goes into a prism with an incidence bigger than the critical incidence. It undergoes a total reflection on the plane face of the prism and then exits. The transmitted resulting wave out of the prism is evanescent and repulsive as the frequency detuning of the laser beam compared to the atomic transition δ = ωL-ω0 is positive. The cold atomic sample interacts with this evanescent wave and undergoes one or more elastic bounces by passing into backward points in its trajectory because the atoms' kinetic energy (of the order of the μeV) is less than the maximum of the dipolar potential barrier ℏΩ2/Δ where Ω is the Rabi frequency [1]. In fact, the atoms are cooled and captured in a magneto-optical trap placed at a distance of the order of the cm above the prism surface. The dipolar potential with which interact the slow atoms is obtained for a two level atom in a case of a dipolar electric transition (D2 Rubidium transition at a wavelength of 780nm delivered by a Titane-Saphir laser between a fundamental state Jf = l/2 and an excited state Je = 3/2). This potential is corrected by an attractive Van der Waals term which varies as 1/z3 in the Lennard-Jones approximation (typical atomic distance of the order of λ0/2π where λ0 is the laser wavelength) and in 1/z4 if the distance between the atom and its image in the dielectric is big in front of λ0/2π. This last case is obtained in a quantum electrodynamic calculation by taking into account an orthornormal base [2]. We'll examine the role of spontaneous emission for which the rate is inversely

  2. A Comprehensive Investigation Into Modeling Supernovae Spectra

    Science.gov (United States)

    Hillier, Desmond

    Supernovae are a rich source of information. By studying their light curves and spectra we gain insights into stellar evolution, the nature of the progenitor star, surface abundances at the time of the explosion, whether previous mass-loss episodes have occurred, the physics of the explosion including the amount and type of elements synthesized, and whether the explosion has produced significant mixing between shells of different chemical composition. To maximize the information that can be gleaned from observations of supernovae it is essential that we have the necessary spectroscopic tools. To this end, we are developing a code, CMFGEN, capable of modeling supernova light curves and spectra. The code is currently being used, to study core-collapse supernovae as well as those arising from the nuclear detonation of a White Dwarf star. We wish to extend CMFGEN's capabilities by developing a procedure to handle non-monotonic velocity flows so that we can treat shock breakout and the interaction of supernova ejecta with circumstellar material. We will also investigate magnetar-powered SNe, and explore the connection between Type Ib and Type Ic supernovae and those supernovae associated with long-duration gamma-ray bursters. Through detailed studies of individual supernova, and through the construction of model grids, we are able to infer deficiencies in our modeling, in our atomic data, and in the progenitor models, and hence make refinements so that we can improve our understanding of all SNe classes. Previous (IUE), current (HST, Chandra, GALEX), and future NASA missions (James Webb Telescope) do/will provide a wealth of data on supernovae. The proposed research is related to strategic subgoal 3D: "Discover the origin, structure, evolution, and destiny of the universe, and search for Earth-like planets." Supernovae are inherently coupled to the evolution of the universe and life: They can trigger star formation and they provide the raw materials (e.g., oxygen

  3. Duality properties between spectra and tilings

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Spectra and tilings play an important role in analysis and geometry respectively.The relations between spectra and tilings have bafied the mathematicians for a long time.Many conjectures,such as the Fuglede conjecture,are placed on the establishment of relations between spectra and tilings,although there are no desired results.In the present paper we derive some characteristic properties of spectra and tilings which highlight certain duality properties between them.

  4. Fine Spectra of Symmetric Toeplitz Operators

    Directory of Open Access Journals (Sweden)

    Muhammed Altun

    2012-01-01

    Full Text Available The fine spectra of 2-banded and 3-banded infinite Toeplitz matrices were examined by several authors. The fine spectra of n-banded triangular Toeplitz matrices and tridiagonal symmetric matrices were computed in the following papers: Altun, “On the fine spectra of triangular toeplitz operators” (2011 and Altun, “Fine spectra of tridiagonal symmetric matrices” (2011. Here, we generalize those results to the (2+1-banded symmetric Toeplitz matrix operators for arbitrary positive integer .

  5. Current Status of Atomic Spectroscopy Databases at NIST

    Science.gov (United States)

    Kramida, Alexander; Ralchenko, Yuri; Reader, Joseph

    2016-05-01

    NIST's Atomic Spectroscopy Data Center maintains several online databases on atomic spectroscopy. These databases can be accessed via the http://physics.nist.gov/PhysRefData web page. Our main database, Atomic Spectra Database (ASD), recently upgraded to v. 5.3, now contains critically evaluated data for about 250,000 spectral lines and 109,000 energy levels of almost all elements in the periodic table. This new version has added several thousand spectral lines and energy levels of Sn II, Mo V, W VIII, and Th I-III. Most of these additions contain critically evaluated transition probabilities important for astrophysics, technology, and fusion research. A new feature of ASD is providing line-ratio data for diagnostics of electron temperature and density in plasmas. Saha-Boltzmann plots have been modified by adding an experimental feature allowing the user to specify a multi-element mixture. We continue regularly updating our bibliography databases, ensuring comprehensive coverage of current literature on atomic spectra for energy levels, spectral lines, transition rates, hyperfine structure, isotope shifts, Zeeman and Stark effects. Our other popular databases, such as the Handbook of Basic Atomic Spectroscopy Data, searchable atlases of spectra of Pt-Ne and Th-Ne lamps, and non-LTE plasma-kinetics code comparisons, continue to be maintained.

  6. The gamma-ray spectra of halocarbons in positron–electron annihilation process

    Energy Technology Data Exchange (ETDEWEB)

    Ma, X.G., E-mail: hsiaoguangma@188.com; Zhu, Y.H.; Liu, Y.

    2015-10-09

    The gamma-ray spectra of the positron annihilation process in methane CH{sub 4} and its fully substituent halocarbons CF{sub 4}, CCl{sub 4}, and CBr{sub 4} have been studied. The theoretical predictions of the inner valence electrons agree well with the experimental measurements for all these molecules. That the outermost s electrons in carbon or halogen atoms dominate the gamma-ray spectra has been confirmed for the first time. The positrophilic site has also been found in these molecules and understanding of annihilation processes in molecules has been enhanced. - Highlights: • The inner valence electrons in molecules dominate the Doppler shift. • The outermost atomic s electrons in molecules show dominance in the gamma-ray spectra. • The positron can penetrate deeper inside molecules in positrophilic sites to annihilate with inner valence electrons.

  7. Calculation of Electronic Absorption Spectra with Account of Thermal Geometry Fluctuations

    Science.gov (United States)

    Guzha, Maris V.; Svitenkov, Andrew I.

    2016-08-01

    An influence of thermal fluctuations of molecule's geometry on calculated electronic-absorption Vis/Uv spectra is considered. Paper presents the quantum chemical modeling of the electronic-absorption spectra for the collection of graphene samples (44, 56, 60, 68 atoms). The calculations were performed by time dependent density functional theory (TDDFT) method in combination with molecular dynamics (MD) simulation at T=300 K. The noticeable changing of spectra relative to single point TDDFT calculation was discovered for two of four structures. We associate achieved results with perturbation of hydrogen and carbon atoms on the edges of the structures. We believe that suggested methodology will be useful in application engineering researches of novel molecules and molecular complexes.

  8. Infrared absorption spectra of transition metals-doped soda lime silica glasses

    Science.gov (United States)

    Khalil, E. M. A.; ElBatal, F. H.; Hamdy, Y. M.; Zidan, H. M.; Aziz, M. S.; Abdelghany, A. M.

    2010-03-01

    Infrared (IR) absorption spectra of some prepared undoped and transition metals-doped soda-lime-silicate glasses have been studied in the region of 400-4000 cm -1. IR spectra were analyzed to determine and differentiate the various vibrational modes by applying a deconvolution method to the IR spectra. Although the first sight reveals close similarity between the different transition metal- (TM) doped samples; careful inspection indicates some minor differences depending on the type of TM ions. These observed data are correlated with similar energy of the 3d orbitals of TM atoms in the neutral state and when the atoms are ionized, the 3d orbitals becomes more stable than the 4 s orbitals.

  9. Fractal spectra in generalized Fibonacci one-dimensional magnonic quasicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Costa, C.H.O. [Departamento de Fisica Teorica e Experimental, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Vasconcelos, M.S., E-mail: manoelvasconcelos@yahoo.com.br [Escola de Ciencias e Tecnologia, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Barbosa, P.H.R.; Barbosa Filho, F.F. [Departamento de Fisica, Universidade Federal do Piaui, 64049-550 Teresina-Pi (Brazil)

    2012-07-15

    In this work we carry out a theoretical analysis of the spectra of magnons in quasiperiodic magnonic crystals arranged in accordance with generalized Fibonacci sequences in the exchange regime, by using a model based on a transfer-matrix method together random-phase approximation (RPA). The generalized Fibonacci sequences are characterized by an irrational parameter {sigma}(p,q), which rules the physical properties of the system. We discussed the magnonic fractal spectra for first three generalizations, i.e., silver, bronze and nickel mean. By varying the generation number, we have found that the fragmentation process of allowed bands makes possible the emergence of new allowed magnonic bulk bands in spectra regions that were magnonic band gaps before, such as which occurs in doped semiconductor devices. This interesting property arises in one-dimensional magnonic quasicrystals fabricated in accordance to quasiperiodic sequences, without the need to introduce some deferent atomic layer or defect in the system. We also make a qualitative and quantitative investigations on these magnonic spectra by analyzing the distribution and magnitude of allowed bulk bands in function of the generalized Fibonacci number F{sub n} and as well as how they scale as a function of the number of generations of the sequences, respectively. - Highlights: Black-Right-Pointing-Pointer Quasiperiodic magnonic crystals are arranged in accordance with the generalized Fibonacci sequence. Black-Right-Pointing-Pointer Heisenberg model in exchange regime is applied. Black-Right-Pointing-Pointer We use a theoretical model based on a transfer-matrix method together random-phase approximation. Black-Right-Pointing-Pointer Fractal spectra are characterized. Black-Right-Pointing-Pointer We analyze the distribution of allowed bulk bands in function of the generalized Fibonacci number.

  10. Electromagnetically Induced Transparency in an Atom-Molecule Bose-Einstein Condensate

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    We propose a new measurement scheme for the atom-molecule dark state by using electromagnetically induced transparency (EIT) technique. Based on a density-matrix formalism, we calculate the absorption coefficient numerically. The appearance of the EIT dip in the spectra profile gives clear evidence for the creation of the dark state in the atom-molecule Bose-Einstein condensate.

  11. Greek Atomic Theory.

    Science.gov (United States)

    Roller, Duane H. D.

    1981-01-01

    Focusing on history of physics, which began about 600 B.C. with the Ionian Greeks and reaching full development within three centuries, suggests that the creation of the concept of the atom is understandable within the context of Greek physical theory; so is the rejection of the atomic theory by the Greek physicists. (Author/SK)

  12. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  13. Atomic Scale Plasmonic Switch.

    Science.gov (United States)

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Pedersen, Andreas; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2016-01-13

    The atom sets an ultimate scaling limit to Moore's law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocation of an individual or, at most, a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ratio of 9.2 dB and operation at room temperature up to MHz with femtojoule (fJ) power consumption for a single switch operation. This demonstration of an integrated quantum device allowing to control photons at the atomic level opens intriguing perspectives for a fully integrated and highly scalable chip platform, a platform where optics, electronics, and memory may be controlled at the single-atom level.

  14. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  15. Atomic Data for Stellar Astrophysics: from the UV to the IR

    Science.gov (United States)

    Wahlgren, Glenn M.

    2011-01-01

    The study of stars and stellar evolution relies heavily on the analysis of stellar spectra. The need for atomic line data from the ultraviolet (UV) to the infrared (lR) regions is greater now than ever. In the past twenty years, the time since the launch of the Hubble Space Telescope, great progress has been made in acquiring atomic data for UV transitions. The optical wavelength region, now expanded by progress in detector technology, continues to provide motivation for new atomic data. In addition, investments in new instrumentation for ground-based and space observatories has lead to the availability of high-quality spectra at IR wavelengths, where the need for atomic data is most critical. In this review, examples are provided of the progress made in generating atomic data for stellar studies, with a look to the future for addressing the accuracy and completeness of atomic data for anticipated needs.

  16. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

    Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.

  17. Coaxial airblast atomizers

    Science.gov (United States)

    Hardalupas, Y.; Whitelaw, J. H.

    1993-01-01

    An experimental investigation was performed to quantify the characteristics of the sprays of coaxial injectors with particular emphasis on those aspects relevant to the performance of rocket engines. Measurements for coaxial air blast atomizers were obtained using air to represent the gaseous stream and water to represent the liquid stream. A wide range of flow conditions were examined for sprays with and without swirl for gaseous streams. The parameters varied include Weber number, gas flow rate, liquid flow rate, swirl, and nozzle geometry. Measurements were made with a phase Doppler velocimeter. Major conclusions of the study focused upon droplet size as a function of Weber number, effect of gas flow rate on atomization and spray spread, effect of nozzle geometry on atomization and spread, effect of swirl on atomization, spread, jet recirculation and breakup, and secondary atomization.

  18. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  19. Analysis of KLL Auger spectra excited by X-rays from Ni and Cu metal surfaces

    Science.gov (United States)

    Egri, S.; Kövér, L.; Cserny, I.; Novák, M.; Drube, W.

    2016-02-01

    Ni and Cu KLL Auger spectra excited by X-rays from polycrystalline metal foils were measured with good energy resolution and intensity earlier. Auger spectra of 3d transition metals contain satellite peaks due to the atomic excitation processes. Because of the complexity of the measured spectral shape a complete explanation of the spectra was not given in the previous works. A new analysis of the measured spectra is presented here, with improved description of effects of inelastic electron scattering of the electrons in the solid sample and using complex peak shapes to model the satellite structure that follows each diagram line. The energy loss part of measured spectra due to the bulk plasmon excitations, surface plasmon excitations and intrinsic loss processes was removed using the Partial Intensity Analysis method based on energy loss distributions obtained from experimental reflection electron energy loss spectra of the same Cu and Ni metal foils. Relative Auger-transition energies derived from measured spectra of copper are in good agreement with previous experimental works and the results of cluster molecular orbital multielectron (DV-ME) calculations. The intensity ratio I(3P2/3P0) shows better agreement with the result of relativistic calculations than in previous works. In the case of nickel the relative Auger-transition energies are in good agreement with the previous results. According to the new evaluation four satellite peaks were identified on the low energy side of each diagram line in the Auger spectra of Ni.

  20. NMR quadruopole spectra of PZT from first-principles

    Science.gov (United States)

    Mao, Dandan; Walter, Eric J.; Krakauer, Henry

    2006-03-01

    High performance piezoelectric materials are disordered alloys, so it can be difficult to determine the local atomic geometry. Recently, high field NMR measurements have shown great promise as a microscopic probe of ABO3 perovskite-based alloys by their ability to resolve line-splittings due to nuclear quadrupolar coupling with the electric field gradient (EFG) at the nucleus. We report first-principles LDA calculations of the EFG's in monoclinic and tetragonal Pb(Zr0.5Ti0.5)O3 systems using the linear augmented planewave (LAPW) method, and we compute NMR static powder spectra for ^91Zr, ^47Ti, and ^17O atoms as a function of applied strain. With decreasing c/a ratio PZT converts from tetragonal to monoclinic symmetry. We observe that the calculated NMR spectra show dramatic deviations with decreasing c/a from that in tetragonal P4mm well before the electric polarization begins to rotate away from the [001] direction. This indicates that NMR measurements can be a very accurate probe of local structural changes in perovskite piezoelectrics. G. L. Hoatson, D. H. Zhou, F. Fayon, D. Massiot, and R. L. Vold, Phys. Rev. B, 66, 224103 (2002).

  1. Analysis of multi-layer ERBS spectra

    Energy Technology Data Exchange (ETDEWEB)

    Marmitt, G.G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Rosa, L.F.S. [Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Nandi, S.K. [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Research School of Astronomy and Astrophysics, The Australian National University, Canberra, ACT 2611 (Australia); Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh); Vos, M., E-mail: maarten.vos@anu.edu.au [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia)

    2015-07-15

    Highlights: • Electron Rutherford backscattering (ERBS) spectra are presented. • The spectra are fitted based on physical meaningful quantities. • Very consistent results are obtained for spectra taken under different conditions. • This establishes that ERBS can be used to measure film thicknesses. - Abstract: A systematic way of analysis of multi-layer electron Rutherford backscattering spectra is described. The approach uses fitting in terms of physical meaningful parameters. Simultaneous analysis then becomes possible for spectra taken at different incoming energies and measurement geometries. Examples are given to demonstrate the level of detail that can be resolved by this technique.

  2. Scikit-spectra: Explorative Spectroscopy in Python

    Directory of Open Access Journals (Sweden)

    Adam Hughes

    2015-06-01

    Full Text Available Scikit-spectra is an intuitive framework for explorative spectroscopy in Python. Scikit-spectra leverages the Pandas library for powerful data processing to provide datastructures and an API designed for spectroscopy. Utilizing the new IPython Notebook widget system, scikit-spectra is headed towards a GUI when you want it, API when you need it approach to spectral analysis. As an application, analysis is presented of the surface-plasmon resonance shift in a solution of gold nanoparticles induced by proteins binding to the gold’s surface. Please refer to the scikit-spectra website for full documentation and support: http://hugadams.github.io/scikit-spectra/

  3. Atom-light interactions in quasi-1D nanostructures: a Green's function perspective

    CERN Document Server

    Asenjo-Garcia, A; Chang, D E; Kimble, H J

    2016-01-01

    Based on a formalism that describes atom-light interactions in terms of the classical electromagnetic Green's function, we study the optical response of atoms and other quantum emitters coupled to one-dimensional photonic structures, such as cavities, waveguides, and photonic crystals. We demonstrate a clear mapping between the transmission spectra and the local Green's function that allows to identify signatures of dispersive and dissipative interactions between atoms, gaining insight into recent experiments.

  4. Gigahertz Dielectric Polarization of Single-atom Niobium Substituted in Graphitic layers

    OpenAIRE

    2015-01-01

    We have synthesized two Nb@C composites with an order of magnitude difference in the density of single-atom niobium substituted into graphitic layers. The concentration and sites of single-atom Nb are identified using aberration-corrected scanning transmission electron microscopy and density functional theory. Comparing the complex permittivity spectra show that the representative dielectric resonance at ~16 GHz originates from the intrinsic polarization of single-atom Nb sites, confirmed by ...

  5. Atomic transition probabilities of Er i

    Science.gov (United States)

    Lawler, J. E.; Wyart, J.-F.; Den Hartog, E. A.

    2010-12-01

    Atomic transition probabilities for 562 lines of the first spectrum of erbium (Er i) are reported. These data are from new branching fraction measurements on Fourier transform spectra normalized with previously reported radiative lifetimes from time-resolved laser-induced fluorescence measurements (Den Hartog et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 155004). The wavelength range of the data set is from 298 to 1981 nm. In this work we explore the utility of parametric fits based on the Cowan code in assessing branching fraction errors due to lines connecting to unobserved lower levels.

  6. Atomic transition probabilities of Nd I

    Science.gov (United States)

    Stockett, M. H.; Wood, M. P.; Den Hartog, E. A.; Lawler, J. E.

    2011-12-01

    Fourier transform spectra are used to determine emission branching fractions for 236 lines of the first spectrum of neodymium (Nd i). These branching fractions are converted to absolute atomic transition probabilities using radiative lifetimes from time-resolved laser-induced fluorescence measurements (Den Hartog et al 2011 J. Phys. B: At. Mol. Opt. Phys. 44 225001). The wavelength range of the data set is from 390 to 950 nm. These transition probabilities from emission and laser measurements are compared to relative absorption measurements in order to assess the importance of unobserved infrared branches from selected upper levels.

  7. Neutron and photon spectra in LINACs.

    Science.gov (United States)

    Vega-Carrillo, H R; Martínez-Ovalle, S A; Lallena, A M; Mercado, G A; Benites-Rengifo, J L

    2012-12-01

    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10(-6) and 1 MeV. Neutron and the Bremsstrahlung spectra show the same features regardless of the linac voltage.

  8. Action spectra of zebrafish cone photoreceptors.

    Directory of Open Access Journals (Sweden)

    Duco Endeman

    Full Text Available Zebrafish is becoming an increasingly popular model in the field of visual neuroscience. Although the absorption spectra of its cone photopigments have been described, the cone action spectra were still unknown. In this study we report the action spectra of the four types of zebrafish cone photoreceptors, determined by measuring voltage responses upon light stimulation using whole cell patch clamp recordings. A generic template of photopigment absorption spectra was fit to the resulting action spectra in order to establish the maximum absorption wavelength, the A2-based photopigment contribution and the size of the β-wave of each cone-type. Although in general there is close correspondence between zebrafish cone action- and absorbance spectra, our data suggest that in the case of MWS- and LWS-cones there is appreciable contribution of A2-based photopigments and that the β-wave for these cones is smaller than expected based on the absorption spectra.

  9. Graviton Spectra in String Cosmology

    CERN Document Server

    Galluccio, M; Occhionero, F; Galluccio, Massimo; Litterio, Marco; Occhionero, Franco

    1997-01-01

    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an $\\omega^3$ increase and initiates an $\\omega^{-7}$ decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre-Big Bang) and the expanding inflationary era (or post-Big Bang). We evaluate both analytically and numerically the frequency and the intensity of the peak and we show that they may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak is at variance with ordinarily monotonic (either increasing or decreasing) graviton spectra of canonical cosmologies; its detection would therefore offer strong support to string cosmology.

  10. Graviton spectra in string cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Galluccio, Massimo [Osservatorio Astronomico di Roma (Roma-IT); Litterio, Marco [Istituto Astronomico dell' Universita (Roma-IT); Occhionero, Franco [Osservatorio Astronomico di Roma (Roma-IT)

    1996-08-01

    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an ω³ increase and initiates an ω⁻⁷ decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre-Big Bang) and the expanding inflationary era (or post-Big Bang). We evaluate both analytically and numerically the frequency and the intensity of the peak and we show that they may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak is at variance with ordinarily monotonic (either increasing or decreasing) graviton spectra of canonical cosmologies; its detection would therefore offer strong support to string cosmology.

  11. [Vibrational spectra of Corallium elatius].

    Science.gov (United States)

    Fan, Lu-wei; Zhang, Yan; Hu, Yang

    2013-09-01

    Corallium elatius, which has unique color distribution characteristic, is the most important species of Taiwan precious corals. EPMA, XRD, FTIR and Laser Raman detective methods were used to study the chemical, mineral composition and spectra characteristics of Corallium elatius. The result of EPMA, XRD and FTIR shows the high-Mg calcite mineral componentand the stable minor chemical constituents of the samples. Meanwhile, the cell parameter indicates the lattice distortion and the preferred orientation of calcite grain caused by organic matter. The red part of the samples shows a different Raman spectrum from that of the white part, located at 1517/1128 cm(-1) and 1296/1016 cm(-1). Raman scattering measurement reveals the relationship between the organic matter and color.

  12. 78 FR 58571 - Maine Yankee Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic...

    Science.gov (United States)

    2013-09-24

    ... Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic Electric Company... Power Company (Maine Yankee), Connecticut Yankee Atomic Power Company (Connecticut Yankee), and the Yankee Atomic Electric Company (Yankee Atomic) (together, ``licensees'' or ``the Yankee Companies'')...

  13. Linear atomic quantum coupler

    CERN Document Server

    El-Orany, Faisal A A

    2009-01-01

    In this paper, we develop the notion of the linear atomic quantum coupler. This device consists of two modes propagating into two waveguides, each of them includes a localized and/or a trapped atom. These waveguides are placed close enough to allow exchanging energy between them via evanescent waves. Each mode interacts with the atom in the same waveguide in the standard way, i.e. as the Jaynes-Cummings model (JCM), and with the atom-mode in the second waveguide via evanescent wave. We present the Hamiltonian for the system and deduce the exact form for the wavefunction. We investigate the atomic inversions and the second-order correlation function. In contrast to the conventional linear coupler, the atomic quantum coupler is able to generate nonclassical effects. The atomic inversions can exhibit long revival-collapse phenomenon as well as subsidiary revivals based on the competition among the switching mechanisms in the system. Finally, under certain conditions, the system can yield the results of the two-m...

  14. Atomic Structure Theory Lectures on Atomic Physics

    CERN Document Server

    Johnson, Walter R

    2007-01-01

    Atomic Structure Theory is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. Numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations are given as well. B-spline basis sets are used to carry out sums arising in higher-order many-body calculations. Illustrative problems are provided, together with solutions. FORTRAN programs implementing the numerical methods in the text are included.

  15. Modelling and Evaluation of Spectra in Beam Aided Spectroscopy

    Science.gov (United States)

    von Hellermann, M. G.; Delabie, E.; Jaspers, R.; Lotte, P.; Summers, H. P.

    2008-10-01

    The evaluation of active beam induced spectra requires advanced modelling of both active and passive features. Three types of line shapes are addressed in this paper: Thermal spectra representing Maxwellian distribution functions described by Gaussian-like line shapes, secondly broad-band fast ion spectra with energies well above local ion temperatures, and, finally, the narrow lines shapes of the equi-spaced Motion Stark multiplet (MSE) of excited neutral beam particles travelling through the magnetic field confining the plasma. In each case additional line shape broadening caused by Gaussian-like instrument functions is taken into account. Further broadening effects are induced by collision velocity dependent effective atomic rates where the observed spectral shape is the result of a convolution of emission rate function and velocity distribution function projected into the direction of observation. In the case of Beam Emission Spectroscopy which encompasses the Motional Stark features, line broadening is also caused by the finite angular spread of injected neutrals and secondly by a ripple in the acceleration voltage associated with high energy neutral beams.

  16. Atomic entanglement and decoherence

    Science.gov (United States)

    Genes, Claudiu

    The generation of entanglement in atomic systems plays a central topic in the fields of quantum information storage and processing. Moreover, a special category of entangled states of multi-atom ensembles, spin squeezed states, have been proven to lead to considerable improvement in the sensitivity of precision measurements compared to systems involving uncorrelated atoms. A treatment of entanglement in open systems is, however, incomplete without a precise description of the process of decoherence which necessarily accompanies it. The theory of entanglement and decoherence are the two main topics of this thesis. Methods are described for the generation of strong correlations in large atomic ensembles using either cavity quantum electrodynamics or measurement outcome conditioned quantum dynamics. Moreover, the description of loss of entanglement resulting from the coupling to a noise reservoir (electromagnetic vacuum) is explored. A spin squeezing parameter is used throughout this thesis as both a measure of entanglement strength and as an indication of the sensitivity improvement above the so-called standard quantum limit (sensitivity obtained with uncorrelated particles) in metrology. The first scheme considered consists of a single mode cavity field interacting with a collection of atoms for which spin squeezing is produced in both resonant and off-resonant regimes. In the resonant case, transfer of squeezing from a field state to the atoms is analyzed, while in the off-resonant regime squeezing is produced via an effective nonlinear interaction (one-axis twisting Hamiltonian). A second, more experimentally realistic case, is one involving the interaction of free space atoms with laser pulses; a projective measurement of a source field originating from atomic fluctuations provides a means of preparing atomic collective states such as spin squeezed and Schrodinger cat states. A new "unravelling" is proposed, that employs the detection of photon number in a single

  17. Atom probe tomography today

    Directory of Open Access Journals (Sweden)

    Alfred Cerezo

    2007-12-01

    Full Text Available This review aims to describe and illustrate the advances in the application of atom probe tomography that have been made possible by recent developments, particularly in specimen preparation techniques (using dual-beam focused-ion beam instruments but also of the more routine use of laser pulsing. The combination of these two developments now permits atomic-scale investigation of site-specific regions within engineering alloys (e.g. at grain boundaries and in the vicinity of cracks and also the atomic-level characterization of interfaces in multilayers, oxide films, and semiconductor materials and devices.

  18. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

    The fourth edition of Physics of the Atom is designed to meet the modern need for a better understanding of the atomic age. It is an introduction suitable for students with a background in university physics and mathematical competence at the level of calculus. This book is designed to be an extension of the introductory university physics course into the realm of atomic physics. It should give students a proficiency in this field comparable to their proficiency in mechanics, heat, sound, light, and electricity.

  19. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O' Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  20. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico

    2013-01-01

    Single-Atom Nanoelectronics covers the fabrication of single-atom devices and related technology, as well as the relevant electronic equipment and the intriguing new phenomena related to single-atom and single-electron effects in quantum devices. It also covers the alternative approaches related to both silicon- and carbon-based technologies, also from the point of view of large-scale industrial production. The publication provides a comprehensive picture of the state of the art at the cutting edge and constitutes a milestone in the emerging field of beyond-CMOS technology. Although there are

  1. EINSTEIN, SCHROEDINGER, AND ATOM

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2014-03-01

    Full Text Available In this paper, we consider gravitation theory in multidimensional space. The model of the metric satisfying the basic requirements of quantum theory is proposed. It is shown that gravitational waves are described by the Liouville equation and the Schrodinger equation as well. The solutions of the Einstein equations describing the stationary states of arbitrary quantum and classical systems with central symmetry have been obtained. Einstein’s atom model has been developed, and proved that atoms and atomic nuclei can be represented as standing gravitational waves

  2. Rydberg atoms in astrophysics

    CERN Document Server

    Gnedin, Yu N; Ignjatovic, Lj M; Sakan, N M; Sreckovic, V A; Zakharov, M Yu; Bezuglov, N N; Klycharev, A N; 10.1016/j.newar.2009.07.003

    2012-01-01

    Elementary processes in astrophysical phenomena traditionally attract researchers attention. At first this can be attributed to a group of hemi-ionization processes in Rydberg atom collisions with ground state parent atoms. This processes might be studied as a prototype of the elementary process of the radiation energy transformation into electrical one. The studies of nonlinear mechanics have shown that so called regime of dynamic chaos should be considered as typical, rather than exceptional situation in Rydberg atoms collision. From comparison of theory with experimental results it follows that a such kind of stochastic dynamic processes, occurred during the single collision, may be observed.

  3. Inside the Hydrogen Atom

    CERN Document Server

    Nowakowski, M; Fierro, D Bedoya; Manjarres, A D Bermudez

    2016-01-01

    We apply the non-linear Euler-Heisenberg theory to calculate the electric field inside the hydrogen atom. We will demonstrate that the electric field calculated in the Euler-Heisenberg theory can be much smaller than the corresponding field emerging from the Maxwellian theory. In the hydrogen atom this happens only at very small distances. This effect reduces the large electric field inside the hydrogen atom calculated from the electromagnetic form-factors via the Maxwell equations. The energy content of the field is below the pair production threshold.

  4. Double photo-electron momentum spectra of Helium at infrared wavelength

    CERN Document Server

    Zielinski, Alejandro; Scrinzi, Armin

    2015-01-01

    Double photo-electron momentum spectra of the Helium atom are calculated \\textit{ab initio} at extreme ultra-violet and near infrared wavelengths. At short wavelengths two-photon double ionization yields, two-electron energy spectra, and triply differential cross sections agree with results from recent literature. At the near infrared wavelength of $780\\,nm$ the experimental single-to-double ionization ratio is reproduced up to intensities of $4\\times 10^{14}W/cm^2$, and two-electron energy spectra and joint angular distributions are presented. The time-dependent surface flux (tSurff) approach is extended to full 3+3 spatial dimensions and systematic error control is demonstrated. We analyze our differential spectra in terms of an experimentally accessible quantitative measure of correlation.

  5. X-ray spectra of high temperature tungsten plasma calculated with collisional radiative model

    Institute of Scientific and Technical Information of China (English)

    Wang Jun; Zhang Hong; Cheng Xin-Lu

    2013-01-01

    Tungsten is regarded as an important candidate of plasma facing material in international thermonuclear experimental reactor (ITER),so the determination and modeling of spectra of tungsten plasma,especially the spectra at high temperature were intensely focused on recently.In this work,using the atomic structure code of Cowan,a collisional radiative model (CRM) based on the spin-orbit-split-arrays is developed.Based on this model,the charge state distribution of tungsten ions is determined and the soft X-ray spectra from high charged ions of tungsten at different temperatures are calculated.The results show that both the average ionization charge and line positions are well agreed with others calculations and measurements with discrepancies of less than 0.63% and 1.26%,respectively.The spectra at higher temperatures are also reported and the relationship between ion abundance and temperature is predicted in this work.

  6. Atom chip gravimeter

    Science.gov (United States)

    Schubert, Christian; Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Ahlers, Holger; Müntinga, Hauke; Matthias, Jonas; Sahelgozin, Maral; Herr, Waldemar; Lämmerzahl, Claus; Ertmer, Wolfgang; Rasel, Ernst

    2016-04-01

    Atom interferometry has developed into a tool for measuring rotations [1], accelerations [2], and testing fundamental physics [3]. Gravimeters based on laser cooled atoms demonstrated residual uncertainties of few microgal [2,4] and were simplified for field applications [5]. Atomic gravimeters rely on the interference of matter waves which are coherently manipulated by laser light fields. The latter can be interpreted as rulers to which the position of the atoms is compared. At three points in time separated by a free evolution, the light fields are pulsed onto the atoms. First, a coherent superposition of two momentum states is produced, then the momentum is inverted, and finally the two trajectories are recombined. Depending on the acceleration the atoms experienced, the number of atoms detected in the output ports will change. Consequently, the acceleration can be determined from the output signal. The laser cooled atoms with microkelvin temperatures used in state-of-the-art gravimeters impose limits on the accuracy [4]. Therefore, ultra-cold atoms generated by Bose-Einstein condensation and delta-kick collimation [6,7] are expected to be the key for further improvements. These sources suffered from a low flux implying an incompatible noise floor, but a competitive performance was demonstrated recently with atom chips [8]. In the compact and robust setup constructed for operation in the drop tower [6] we demonstrated all steps necessary for an atom chip gravimeter with Bose-Einstein condensates in a ground based operation. We will discuss the principle of operation, the current performance, and the perspectives to supersede the state of the art. The authors thank the QUANTUS cooperation for contributions to the drop tower project in the earlier stages. This work is supported by the German Space Agency (DLR) with funds provided by the Federal Ministry for Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under grant numbers DLR 50WM

  7. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  8. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-07-12

    The Gordon Research Conference (GRC) on Atomic & Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  9. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  10. Atomical Grothendieck categories

    Directory of Open Access Journals (Sweden)

    C. Năstăsescu

    2003-01-01

    Full Text Available Motivated by the study of Gabriel dimension of a Grothendieck category, we introduce the concept of atomical Grothendieck category, which has only two localizing subcategories, and we give a classification of this type of Grothendieck categories.

  11. Atomic Interferometry Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Vertical cavity surface emitting lasers (VCSELs) is a new technology which can be used for developing high performance laser components for atom-based sensors...

  12. Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra

    Science.gov (United States)

    Arachchilage, Anoja P. Wickrama; Wang, Feng; Feyer, Vitaliy; Plekan, Oksana; Prince, Kevin C.

    2010-11-01

    We have investigated the electronic structure of three cyclic dipeptides: cyclo(Glycyl-Glycyl) (cGG), cyclo(Leucyl-Prolyl) (cLP), and cyclo(Phenylalanyl-Prolyl) (cPP). These compounds are biologically active and cLP and cPP are derived from cGG (also known as diketopiperazine), by the addition of the respective functional groups of the amino acids, namely, phenyl, alkyl or a fused pyrrolidine ring (proline). Experimental valence and core level spectra have been interpreted in the light of theoretical calculations to identify the basic chemical properties associated with the central ring, and with the additional functional groups in cLP and cPP. The theoretically simulated spectra of all three cyclic dipeptides in both valence and core spaces agreed reasonably well with the experimental spectra. The three molecules displayed similarities in their core spectra, suggesting that the diketopiperazine structure plays an important role in determining the inner shell spectrum. The experimental C 1s spectra of cLP and cPP are analogous but differ from cGG due to the side chains attached to the diketopiperazine structure. Single spectral peaks in the N 1s (and O 1s) spectra of the dipeptides indicate that the chemical environment of the nitrogen atoms (and oxygen atoms) are very similar, although they show a small splitting in the simulated spectra of cPL and cPP, due to the reduction of their point group symmetry. Valence band spectra of the three dipeptides in the frontier orbital region of 9-11 eV exhibit similarities; however theoretical analysis shows that significant changes occur due to the involvement of the side chain in the frontier orbitals of cPP, while lesser changes are found for cLP.

  13. Optical atomic magnetometer

    Science.gov (United States)

    Budker, Dmitry; Higbie, James; Corsini, Eric P

    2013-11-19

    An optical atomic magnetometers is provided operating on the principles of nonlinear magneto-optical rotation. An atomic vapor is optically pumped using linearly polarized modulated light. The vapor is then probed using a non-modulated linearly polarized light beam. The resulting modulation in polarization angle of the probe light is detected and used in a feedback loop to induce self-oscillation at the resonant frequency.

  14. Cavity enhanced atomic magnetometry

    OpenAIRE

    Herbert Crepaz; Li Yuan Ley; Rainer Dumke

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage...

  15. Hirshfeld atom refinement.

    Science.gov (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

    2014-09-01

    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  16. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  17. The Spitzer Atlas of Stellar Spectra

    CERN Document Server

    Ardila, David R; Makowiecki, Wojciech; Stauffer, John; Song, Inseok; Rho, Jeonghee; Fajardo-Acosta, Sergio; Hoard, D W; Wachter, Stefanie

    2010-01-01

    We present the Spitzer Atlas of Stellar Spectra (SASS), which includes 159 stellar spectra (5 to 32 mic; R~100) taken with the Infrared Spectrograph on the Spitzer Space Telescope. This Atlas gathers representative spectra of a broad section of the Hertzsprung-Russell diagram, intended to serve as a general stellar spectral reference in the mid-infrared. It includes stars from all luminosity classes, as well as Wolf-Rayet (WR) objects. Furthermore, it includes some objects of intrinsic interest, like blue stragglers and certain pulsating variables. All the spectra have been uniformly reduced, and all are available online. For dwarfs and giants, the spectra of early-type objects are relatively featureless, dominated by Hydrogen lines around A spectral types. Besides these, the most noticeable photospheric features correspond to water vapor and silicon monoxide in late-type objects and methane and ammonia features at the latest spectral types. Most supergiant spectra in the Atlas present evidence of circumstell...

  18. On non-forking spectra

    CERN Document Server

    Chernikov, Artem; Shelah, Saharon

    2012-01-01

    Non-forking is one of the most important notions in modern model theory capturing the idea of a generic extension of a type (which is a far-reaching generalization of the concept of a generic point of a variety). To a countable first-order theory we associate its non-forking spectrum - a function of two cardinals kappa and lambda giving the supremum of the possible number of types over a model of size lambda that do not fork over a sub-model of size kappa. This is a natural generalization of the stability function of a theory. We make progress towards classifying the non-forking spectra. On the one hand, we show that the possible values a non-forking spectrum may take are quite limited. On the other hand, we develop a general technique for constructing theories with a prescribed non-forking spectrum, thus giving a number of examples. In particular, we answer negatively a question of Adler whether NIP is equivalent to bounded non-forking. In addition, we answer a question of Keisler regarding the number of cut...

  19. Functional Regression for Quasar Spectra

    CERN Document Server

    Ciollaro, Mattia; Freeman, Peter; Genovese, Christopher; Lei, Jing; O'Connell, Ross; Wasserman, Larry

    2014-01-01

    The Lyman-alpha forest is a portion of the observed light spectrum of distant galactic nuclei which allows us to probe remote regions of the Universe that are otherwise inaccessible. The observed Lyman-alpha forest of a quasar light spectrum can be modeled as a noisy realization of a smooth curve that is affected by a `damping effect' which occurs whenever the light emitted by the quasar travels through regions of the Universe with higher matter concentration. To decode the information conveyed by the Lyman-alpha forest about the matter distribution, we must be able to separate the smooth `continuum' from the noise and the contribution of the damping effect in the quasar light spectra. To predict the continuum in the Lyman-alpha forest, we use a nonparametric functional regression model in which both the response and the predictor variable (the smooth part of the damping-free portion of the spectrum) are function-valued random variables. We demonstrate that the proposed method accurately predicts the unobserv...

  20. Reflectance spectra of subarctic lichens

    Science.gov (United States)

    Petzold, Donald E.; Goward, Samuel N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the midlatitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 microns, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future.

  1. Calculation of reactor antineutrino spectra in TEXONO

    CERN Document Server

    Chen Dong Liang; Mao Ze Pu; Wong, T H

    2002-01-01

    In the low energy reactor antineutrino physics experiments, either for the researches of antineutrino oscillation and antineutrino reactions, or for the measurement of abnormal magnetic moment of antineutrino, the flux and the spectra of reactor antineutrino must be described accurately. The method of calculation of reactor antineutrino spectra was discussed in detail. Furthermore, based on the actual circumstances of NP2 reactors and the arrangement of detectors, the flux and the spectra of reactor antineutrino in TEXONO were worked out

  2. A study of ice response spectra

    Institute of Scientific and Technical Information of China (English)

    LIU Chunguang; JIA Lingling

    2009-01-01

    Some problems concerning the ice forces and ice response spectra are studied from both theoretical and practical points of view. On the basis of structural analysis,the analysis method of ice response spectra is proposed, since it plays an important role in the prediction of maximum structural response in cold regions. And it is illustrated that it is easy to study the structural response to ice using the ice response spectra.

  3. Circumstellar Molecular Spectra towards Evolved Stars

    CERN Document Server

    Bakker, E J

    1997-01-01

    In this paper we discuss the relevance of, and possible scientific gains which can be acquired from studying circumstellar molecular spectra toward evolved stars. Where can we expect circumstellar molecular spectra, why would we want to study these spectra, which molecules might be present, and what can we learn from these studies? We present an overview of reported detections, and discuss some of the results.

  4. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  5. Coherent inelastic backscattering of laser light from three isotropic atoms

    CERN Document Server

    Ketterer, Andreas; Shatokhin, Vyacheslav N

    2014-01-01

    We study the impact of double and triple scattering contributions on coherent backscattering of laser light from saturated isotropic atoms, in the helicity preserving polarization channel. Using the recently proposed diagrammatic pump-probe approach, we analytically derive single-atom spectral responses to a classical polychromatic driving field, combine them self-consistently to double and triple scattering processes, and numerically deduce the corresponding elastic and inelastic spectra, as well as the total backscattered intensities. We find that account of the triple scattering contribution leads to a faster decay of phase-coherence with increasing saturation of the atomic transition as compared to double scattering alone, and to a better agreement with the experiment on strontium atoms.

  6. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.

    2009-01-01

    The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground...

  7. Spectra of Velocity components over Complex Terrain

    DEFF Research Database (Denmark)

    Panofsky, H. A.; Larko, D.; Lipschut, R.

    1982-01-01

    Spectra have been measured over a variety of types of complex terrain: on tops of hills and escarpments, over land downstream of a water surface, and over rolling terrain. Differences between spectra over many types of complex terrain, and over uniform terrain, can be explained by these hypotheses...... is horizontal, and decrease when the flow is uphill, for the longitudinal velocity component only. Since vertical-velocity spectra contain relatively less low wavenumber energy than horizontal-velocity spectra, energetic vertical-velocity fluctuations tend to be in equilibrium with local terrain....

  8. Effective potentials for atom-atom interaction at low temperatures

    OpenAIRE

    Gao, Bo

    2002-01-01

    We discuss the concept and design of effective atom-atom potentials that accurately describe any physical processes involving only states around the threshold. The existence of such potentials gives hope to a quantitative, and systematic, understanding of quantum few-atom and quantum many-atom systems at relatively low temperatures.

  9. Raman Optical Activity Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach.

    Science.gov (United States)

    Jovan Jose, K V; Raghavachari, Krishnan

    2016-02-09

    We present an efficient method for the calculation of the Raman optical activity (ROA) spectra for large molecules through the molecules-in-molecules (MIM) fragment-based method. The relevant higher energy derivatives from smaller fragments are used to build the property tensors of the parent molecule to enable the extension of the MIM method for evaluating ROA spectra (MIM-ROA). Two factors were found to be particularly important in yielding accurate results. First, the link-atom tensor components are projected back onto the corresponding host and supporting atoms through the Jacobian projection method, yielding a mathematically rigorous method. Second, the long-range interactions between fragments are taken into account by using a less computationally expensive lower level of theory. The performance of the MIM-ROA model is calibrated on the enantiomeric pairs of 10 carbohydrate benchmark molecules, with strong intramolecular interactions. The vibrational frequencies and ROA intensities are accurately reproduced relative to the full, unfragmented, results for these systems. In addition, the MIM-ROA method is employed to predict the ROA spectra of d-maltose, α-D-cyclodextrin, and cryptophane-A, yielding spectra in excellent agreement with experiment. The accuracy and performance of the benchmark systems validate the MIM-ROA model for exploring ROA spectra of large molecules.

  10. Teleportation of Atomic States for Atoms in a Lambda Configuration

    CERN Document Server

    Guerra, E S

    2004-01-01

    In this article we discuss a scheme of teleportation of atomic states making use of three-level lambda atoms. The experimental realization proposed makes use of cavity QED involving the interaction of Rydberg atoms with a micromaser cavity prepared in a coherent state. We start presenting a scheme to prepare atomic EPR states involving two-level atoms via the interaction of these atoms with a cavity. In our scheme the cavity and some atoms play the role of auxiliary systems used to achieve the teleportation.

  11. Universal bosonic tetramers of dimer-atom-atom structure

    OpenAIRE

    Deltuva, A.

    2012-01-01

    Unstable four-boson states having an approximate dimer-atom-atom structure are studied using momentum-space integral equations for the four-particle transition operators. For a given Efimov trimer the universal properties of the lowest associated tetramer are determined. The impact of this tetramer on the atom-trimer and dimer-dimer collisions is analyzed. The reliability of the three-body dimer-atom-atom model is studied.

  12. Single-atom spintronics

    Institute of Scientific and Technical Information of China (English)

    Susan Z. HUA; Matthew R. SULLIVAN; Jason N. ARMSTRONG

    2006-01-01

    Recent work on magnetic quantum point contacts (QPCs) was discussed. Complete magnetoresistance loops across Co QPCs as small as a single atom was measured. The remarkable feature of these QPCs is the rapid oscillatory decay in magnetoresistance with the increase of contact size. In addition,stepwise or quantum magnetoresistance loops are observed,resulting from varying transmission probability of the available discrete conductance channels because the sample is cycled between the ferromagnetic (F) and antiferromagnetic (AF) aligned states. Quantized conductance combined with spin dependent transmission of electron waves gives rise to a multi-channel system with a quantum domain wall acting as a valve,i.e.,a quantum spin-valve. Behavior of a few-atom QPC is built on the behavior of a single-atom QPC and hence the summarization of results as 'single-atom spintronics'. An evolutionary trace of spin-dependent electron transmission from a single atom to bulk is provided,the requisite hallmarks of artefact-free magnetoresistance is established across a QPC - stepwise or quantum magnetoresistance loops and size dependent oscillatory magnetoresistance.

  13. Influence of electric fields on absorption spectra of AAB-stacked trilayer graphene

    Science.gov (United States)

    Chiu, Chih-Wei; Chen, Rong-Bin

    2016-06-01

    The tight-binding model and gradient approximation are, respectively, used to calculate the band structures and the absorption spectra of AAB-stacked trilayer graphene (AAB-TLG). AAB stacking, the lowest symmetric geometric structure in trilayer systems, induces the most atomic interactions, and thus, complicates the energy dispersions and the joint density of states. AAB stacking enriches the optical absorption spectra [A(ω)], which dictate the characteristics of the electronic structure. A(ω) are changed by the static electric field, such as the intensity, frequency, and number of absorption structures. These results contrast sharply with those for TLG in other stacking configurations.

  14. Quantum magnetism through atomic assembly

    NARCIS (Netherlands)

    Spinelli, A.

    2015-01-01

    This thesis presents an experimental study of magnetic structures, composed of only a few atoms. Those structures are first built atom-by-atom and then locally probed, both with a low-temperature STM. The technique that we use to assemble them is vertical atom manipulation, while to study their phy

  15. Atomic Transition Probabilities for Neutral Cerium

    Science.gov (United States)

    Chisholm, John; Nitz, D.; Sobeck, J.; Den Hartog, E. A.; Wood, M. P.; Lawler, J. E.

    2010-01-01

    Among the rare earth species, the spectra of neutral cerium (Ce I) and singly ionized cerium (Ce II) are some of the most complex. Like other rare earth species, Ce has many lines in the visible which are suitable for elemental abundance studies. Recent work on Ce II transition probabilities [1] is now being augmented with similar work on Ce I for future studies using such lines from astrophysical sources. Radiative lifetimes from laser induced fluorescence measurements [2] on neutral Ce are being combined with emission branching fractions from spectra recorded using a Fourier transform spectrometer. A total of 14 high resolution spectra are being analyzed to determine branching fractions for 2500 to 3000 lines from 153 upper levels in neutral Ce. Representative data samples and progress to date will be presented. This work was supported by the National Science Foundation's REU program and the Department of Defense's ASSURE program through NSF Award AST-0453442 and NSF Grant CTS0613277. [1] J. E. Lawler, C. Sneden, J. J. Cowan, I. I. Ivans, and E. A. Den Hartog, Astrophys. J. Suppl. Ser. 182, 51-79 (2009). [2] E. A. Den Hartog, K. P. Buettner, and J. E. Lawler, J. Phys. B: Atomic, Molecular & Optical Physics 42, 085006 (7pp) (2009).

  16. Noise spectroscopy with large clouds of cold atoms

    Science.gov (United States)

    Kashanian, Samir Vartabi; Eloy, Aurélien; Guerin, William; Lintz, Michel; Fouché, Mathilde; Kaiser, Robin

    2016-10-01

    Noise measurement is a powerful tool to investigate many phenomena from laser characterization to quantum behavior of light. In this paper, we report on intensity noise measurements obtained when a laser beam is transmitted through a large cloud of cold atoms. While this measurement could possibly be used to investigate complex processes such as the influence of atomic motion, one is first limited by the conversion of the intrinsic laser frequency noise to intensity noise via the atomic resonance. This conversion is studied here in detail. We show that, while experimental intensity noise spectra collapse onto the same curve at low Fourier frequencies, some differences appear at higher frequencies when the probe beam is detuned from the center of the resonance line. A simple model, based on a mean-field approach, which corresponds to describing the atomic cloud by a dielectric susceptibility, is sufficient to understand the main features. Using this model, the noise spectra allow extracting some quantitative information on the laser noise as well as on the atomic sample.

  17. Sampling the Hydrogen Atom

    Directory of Open Access Journals (Sweden)

    Graves N.

    2013-01-01

    Full Text Available A model is proposed for the hydrogen atom in which the electron is an objectively real particle orbiting at very near to light speed. The model is based on the postulate that certain velocity terms associated with orbiting bodies can be considered as being af- fected by relativity. This leads to a model for the atom in which the stable electron orbits are associated with orbital velocities where Gamma is n /α , leading to the idea that it is Gamma that is quantized and not angular momentum as in the Bohr and other models. The model provides a mechanism which leads to quantization of energy levels within the atom and also provides a simple mechanical explanation for the Fine Struc- ture Constant. The mechanism is closely associated with the Sampling theorem and the related phenomenon of aliasing developed in the mid-20th century by engineers at Bell labs.

  18. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  19. POLLUX : a database of synthetic stellar spectra

    CERN Document Server

    Palacios, A; Josselin, E; Martins, F; Plez, B; Belmas, M; Lebre, A

    2010-01-01

    Synthetic spectra are needed to determine fundamental stellar and wind parameters of all types of stars. They are also used for the construction of theoretical spectral libraries helpful for stellar population synthesis. Therefore, a database of theoretical spectra is required to allow rapid and quantitative comparisons to spectroscopic data. We provide such a database offering an unprecedented coverage of the entire Hertzsprung-Russell diagram. We present the POLLUX database of synthetic stellar spectra. For objects with Teff 25 000 K). Their spectra are computed with CMF_FLUX. Both high resolution (R>150 000) optical spectra in the range 3 000 to 12 000 A and spectral energy distributions extending from the UV to near--IR ranges are presented. These spectra cover the HR diagram at solar metallicity. We propose a wide variety of synthetic spectra for various types of stars in a format that is compliant with the Virtual Observatory standards. A user--friendly web interface allows an easy selection of spectra...

  20. Thermoluminescence spectra measured with a Michelson interferometer

    Energy Technology Data Exchange (ETDEWEB)

    Haschberger, P. (Technische Univ. Muenchen (Germany). Lehrstuhl fuer Elektrische Messtechnik)

    1991-01-01

    A Michelson interferometer was redesigned to prove its capabilities in the measurement of short-lived, low-intensity thermoluminescence spectra. Interferograms are collected during heating up the thermoluminescent probe in a heater plate. A personal computer controls the data acquisition and processes the Fourier transform. As the results show, even a comparatively simple and limited setup leads to relevant and reproducible spectra. (author).

  1. Moessbauer Spectra of Clays and Ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, F. E.; Wagner, U. [Technische Universitaet Muenchen (Germany)

    2004-06-15

    The physical, chemical and mineralogical aspects of the use of Moessbauer spectroscopy in studies of clay-based ceramics are described. Moessbauer spectra of pottery clays fired under oxidising, reducing and changing conditions are explained, and the possibilities of using Moessbauer spectra to derive information on the firing temperatures and the kiln atmosphere during firing in antiquity are discussed and illustrated by examples.

  2. Tunneling spectra of graphene on copper unraveled

    DEFF Research Database (Denmark)

    Zhang, Xin; Stradi, Daniele; Liu, Lei

    2016-01-01

    mechanisms, etc. The interpretation of the spectra can be complicated, however. Specifically for graphene grown on copper, there have been conflicting reports of tunneling spectra. A clear understanding of the mechanisms behind the variability is desired. In this work, we have revealed that the root cause...

  3. Energy spectrum of fermionized bosonic atoms in optical lattices

    Institute of Scientific and Technical Information of China (English)

    Jiurong Han; Haichao Zhang; Yuzhu Wang

    2005-01-01

    We investigate the energy spectrum of fermionized bosonic atoms, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and the retarded Green's function method. The results show that the energy spectrum splits into two energy bands with single-occupation; the fermionized bosonic atom occupies nonvanishing energy state and left hole has a vanishing energy at any given momentum, and the system is in Mott-insulating state with a energy gap.Using the characteristic of energy spectra we obtained a criterion with which one can judge whether the Tonks-Girardeau (TG) gas is achieved or not.

  4. Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

    DEFF Research Database (Denmark)

    de Oteyza, D. G.; Sakko, A.; El-Sayed, A.;

    2012-01-01

    orbitals with significant density of states on the fluorine atoms show different symmetry from those mainly located on C and N atoms. As a result, the angle-dependent linear dichroism in NEXAFS F K-edge spectra is inversed with respect to that in the C and N K-edges. In addition, the significant overlap...... in energy of π* and σ* orbitals throughout the F K-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements....

  5. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky

    2012-01-01

    Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

  6. Korean atomic bomb victims.

    Science.gov (United States)

    Sasamoto, Yukuo

    2009-01-01

    After colonizing Korea, Japan invaded China, and subsequently initiated the Pacific War against the United States, Britain, and their allies. Towards the end of the war, U.S. warplanes dropped atomic bombs on Hiroshima and Nagasaki, which resulted in a large number of Koreans who lived in Hiroshima and Nagasaki suffering from the effects of the bombs. The objective of this paper is to examine the history of Korea atomic bomb victims who were caught in between the U.S., Japan, the Republic of Korea (South Korea) and the Democratic People's Republic of Korea (North Korea).

  7. Atomic Force Microscope

    Energy Technology Data Exchange (ETDEWEB)

    Day, R.D.; Russell, P.E.

    1988-12-01

    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  8. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli

    2014-09-01

    Full Text Available Hirshfeld atom refinement (HAR is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's, all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules, the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  9. Optically pumped atoms

    CERN Document Server

    Happer, William; Walker, Thad

    2010-01-01

    Covering the most important knowledge on optical pumping of atoms, this ready reference is backed by numerous examples of modelling computation for optical pumped systems. The authors show for the first time that modern scientific computing software makes it practical to analyze the full, multilevel system of optically pumped atoms. To make the discussion less abstract, the authors have illustrated key points with sections of MATLAB codes. To make most effective use of contemporary mathematical software, it is especially useful to analyze optical pumping situations in the Liouville spa

  10. Atoms in Agriculture

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, Thomas S. [University of Tennessee

    1965-01-01

    Agriculture benefits from the applications of research. Radioactive techniques have been used to study soils, plants, microbes, insects, farm animals, and new ways to use and preserve foodstuffs. Radioactive atoms are not used directly by farmers but are used in research directed by the U. S. Department of Agriculture and Atomic Energy Commission, by the agricultural experiment stations of the various states, and by numerous public and private research institutions. From such research come improved materials and methods which are used on the farm.

  11. Investigation of ultracold atoms and molecules in a dark magneto-optical trap

    Institute of Scientific and Technical Information of China (English)

    Wang Li-Rong; Ji Zhong-Hua; Yuan Jin-Peng; Yang Yan; Zhao Yan-Ting; Ma Jie; Xiao Lian-Tuan; Jia Suo-Tang

    2012-01-01

    In this paper,ultracold atoms and molecules in a dark magneto-optical trap (MOT) are studied via depumping the cesium cold atoms into the dark hyperfine ground state.The collision rate is reduced to 0.45 s-1 and the density of the atoms is increased to 5.6 × 1011 cm-3 when the fractional population of the atoms in the bright hyperfine ground state is as low as 0.15.The vibrational spectra of the ultracold cesium molecules are also studied in a standard MOT and in a dark MOT separately.The experimental results are analyzed by using the perturbative quantum approach.

  12. Level-energy-dependent mean velocities of excited tungsten atoms sputtered by krypton-ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota [Department of Physics, Toho University, Miyama, Funabashi, Chiba 274-8510 (Japan); Kato, Daiji; Murakami, Izumi [National Institute for Fusion Science, Toki, Gifu 509-5292, Japan and Department of Fusion Science, School of Physical Sciences, SOKENDAI (The Graduate University for Advanced Studies), Toki, Gifu 509-5292 (Japan); Sakaue, Hiroyuki A. [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Kenmotsu, Takahiro [Department of Biomedical Engineering, Faculty of Life and Medical Sciences, Doshisha University, Tatara-Miyakodani, Kyotanabe, Kyoto 610-0394 (Japan); Furuya, Kenji [Faculty of Arts and Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Motohashi, Kenji, E-mail: motohashi@toyo.jp [Department of Biomedical Engineering, Faculty of Science and Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585, Japan and Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan)

    2015-11-15

    Visible emission spectra were acquired from neutral atoms sputtered by 35–60 keV Kr{sup +} ions from a polycrystalline tungsten surface. Mean velocities of excited tungsten atoms in seven different 6p states were also obtained via the dependence of photon intensities on the distance from the surface. The average velocities parallel to the surface normal varied by factors of 2–4 for atoms in the different 6p energy levels. However, they were almost independent of the incident ion kinetic energy. The 6p-level energy dependence indicated that the velocities of the excited atoms were determined by inelastic processes that involve resonant charge exchange.

  13. Effect of gas atoms on X-ray optical properties of multilayers

    Institute of Scientific and Technical Information of China (English)

    冯仕猛; 赵海鹰; 范正修; 邵建达; 窦晓鸣

    2003-01-01

    Multilayers always dissolve some gas atoms during sputtering. In this paper, we develop a new method to study the effect of gas atoms on X-ray reflectance of the multilayer. Our theoretical analysis shows that this effect depends not only on the content of gas atom but also on the wavelength and the grazing angle. The shorter the wavelength and the bigger the grazing angle, the stronger this effect of gas atoms. We fabricated Mo/Si multilayers under various sputtering pressures and measured their small angle X-ray diffraction spectra. The measured results coincide with those calculated by our method.

  14. Exchange of carbon-bound hydrogen atoms ortho to the hydroxyl group in tyrosine.

    Science.gov (United States)

    Martin, R B; Morlino, V J

    1965-10-22

    The carbon-bound hydrogen atoms of tyrosine that exchange with solvent protons in strongly acid solutions at about 100 degrees C are not the methylene hydrogen atoms but a pair on the aromatic ring. Of the two pairs of protons on the aromatic ring, observed in the proton magnetic resonance spectra, the pair at higher field undergoes exchange in 2.4N DCI at 100 degrees C. Other hydrogen atoms, attached either to aliphatic or aromatic carbon atoms, exhibit no noticeable exchange under the same conditions. From a chemicalshift analysis the exchanging protons are assigned as those ortho to the hydroxyl group on the aromatic ring.

  15. Scaled-energy spectroscopy of helium vertical bar M vertical bar=1 Rydberg atoms in a static electric field

    NARCIS (Netherlands)

    Kips, A.; Vassen, W.; Hogervorst, W.; Dando, P.A.

    1998-01-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. /M/ = 1 states were studied in excitation from the 2 S-1(0) metastable state. Spectra were recorded for epsilon = -2.940(4), epsilon = -2.350(4), both below the saddle point, and epsilon = -1.760(4), above the saddl

  16. Fractals and spectra related to fourier analysis and function spaces

    CERN Document Server

    Triebel, Hans

    1997-01-01

    Fractals and Spectra Hans Triebel This book deals with the symbiotic relationship between the theory of function spaces, fractal geometry, and spectral theory of (fractal) pseudodifferential operators as it has emerged quite recently. Atomic and quarkonial (subatomic) decompositions in scalar and vector valued function spaces on the euclidean n-space pave the way to study properties (compact embeddings, entropy numbers) of function spaces on and of fractals. On this basis, distributions of eigenvalues of fractal (pseudo)differential operators are investigated. Diverse versions of fractal drums are played. The book is directed to mathematicians interested in functional analysis, the theory of function spaces, fractal geometry, partial and pseudodifferential operators, and, in particular, in how these domains are interrelated. ------ It is worth mentioning that there is virtually no literature on this topic and hence the most of the presented material is published here the first time. - Zentralblatt MATH (…) ...

  17. Simulation of UIB spectra with IR emission from CHONS molecules

    CERN Document Server

    Papoular, Renaud

    2012-01-01

    The present work purports to identify candidate carriers of the UIBs. This requires a procedure for the computation of the emission spectrum of any given candidate. The procedure used here consists in exciting the carrier into a state of internal vibration, waiting until the system has reached dynamic equilibrium and, then, monitoring the time variations of the overall electric dipole moment associated with this vibration. The emission spectrum is shown to be simply related to the FT of these variations. This procedure was applied to more than 100 different chemical structures, inspired by the exhaustive experimental and theoretical analyses of Kerogens, the terrestrial sedimentary matter, which is known to be mainly composed of C, H, O, N and S atoms. From this data base, 21 structures were extracted, which fall in 4 classes, each of which contributes preferentially to one of the main UIBs. Summing their adequately weighted spectra delivers an emission spectrum which indeed exhibits the main UIB features (al...

  18. Moisture dependence of positron annihilation spectra in nylon-6

    Science.gov (United States)

    Singh, J. J.; St. Clair, T. L.; Holt, W. H.; Mock, W., Jr.

    1984-01-01

    Positron annihilation time spectra have been measured in nylon-6 samples as a function of their moisture content. The measured average long life component lifetime values are: 1722 + or - 47 ps (dry), 1676 + or - 40 ps (14.6 percent saturation value), 1719 + or - 26 ps (29.3 percent saturation value), 1720 + or - 35 ps (50 percent of saturation value), 1857 + or - 35 ps (78.1 percent saturation value), and 1936 + or - 57 ps (saturated). It appears that nylon-6 has a special affinity for water at low concentration levels where H2O molecules enter between the (C = O - H-N) chemical bonds between nylon molecular chains. As the water concentration increases beyond a critical level, nylon-6 specimens start trapping H2O molecules in other bond sites or potential wells. The trapped water increases the free volume in the test specimens and reduces Ps atom formation as well as its subsequent decay rate.

  19. Role of core-scattered closed orbits in nonhydrogenic atoms

    Science.gov (United States)

    Dando, P. A.; Monteiro, T. S.; Delande, D.; Taylor, K. T.

    1996-07-01

    While both diamagnetic and Stark spectra of hydrogen can be analyzed accurately in terms of classical orbits, in nonhydrogenic atoms the multielectron core induces additional spectral modulations that cannot be analyzed reliably in terms of standard periodic orbit-type theories. However, by extending closed-orbit theory to include core-scattered waves consistently, both diamagnetic and Stark photoabsorption spectra of nonhydrogenic Rydberg atoms at constant scaled energy can be analyzed semiclassically using only the closed orbits of the corresponding hydrogenic systems. Frequencies and amplitudes of the core-scattered modulations, as well as corrected amplitudes for contributions from repetitions of primitive hydrogenic orbits, are found to be in excellent agreement with quantum results. We consider whether these nonhydrogenic systems correspond to quantum chaos.

  20. Atomic and Molecular Data for Optical Stellar Spectroscopy

    CERN Document Server

    Heiter, U; Asplund, M; Barklem, P S; Bergemann, M; Magrini, L; Masseron, T; Mikolaitis, Š; Pickering, J C; Ruffoni, M P

    2015-01-01

    High-precision spectroscopy of large stellar samples plays a crucial role for several topical issues in astrophysics. Examples include studying the chemical structure and evolution of the Milky Way galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Data are accumulating from instruments that obtain high-quality spectra of stars in the ultraviolet, optical and infrared wavelength regions on a routine basis. These instruments are located at ground-based 2- to 10-m class telescopes around the world, in addition to the spectrographs with unique capabilities available at the Hubble Space Telescope. The interpretation of these spectra requires high-quality transition data for numerous species, in particular neutral and singly ionized atoms, and di- or triatomic molecules. We rely heavily on the continuous efforts of laboratory astrophysics groups that produce and improve the relevant experimental and theoretical atomic and molecular data. The compilation of the best available ...

  1. Rydberg-Blockade Effects in Autler-Townes Spectra of Ultracold Strontium

    CERN Document Server

    DeSalvo, B J; Gaul, C; Pohl, T; Yoshida, S; Burgdörfer, J; Hazzard, K R A; Dunning, F B; Killian, T C

    2015-01-01

    We present a combined experimental and theoretical study of the effects of Rydberg interactions on Autler-Townes spectra of ultracold gases of atomic strontium. Realizing two-photon Rydberg excitation via a long-lived triplet state allows us to probe the thus far unexplored regime where Rydberg state decay presents the dominant decoherence mechanism. The effects of Rydberg interactions are observed in shifts, asymmetries, and broadening of the measured atom-loss spectra. The experiment is analyzed within a one-body density matrix approach, accounting for interaction-induced level shifts and dephasing through nonlinear terms that approximately incorporate correlations due to the Rydberg blockade. This description yields good agreement with our experimental observations for short excitation times. For longer excitation times, the loss spectrum is altered qualitatively, suggesting additional dephasing mechanisms beyond the standard blockade mechanism based on pure van der Waals interactions.

  2. X-ray photoemission spectra for Al(x)Ga(1-x)As

    Science.gov (United States)

    Ireland, P. J.; Kazmerski, L. L.; Fisher, R. F.

    1984-06-01

    X-ray photoelectron spectroscopy (XPS) is used in both a qualitative and quantitative fashion to study the Al(x)Ga(1-x)As alloy. Gallium and aluminum atoms are always bonded to the arsenic atom. As the concentration of Al increases, a notable shift in the As-3d level could be expected as Ga and Al both have different electronegativities. Spectra taken on molecular beam epitaxially grown samples do not show this shift in the As-3d core level. The composition of the films have been measured with an electron probe, and these results agree very well with the XPS quantitative data. Standard spectra are presented for films with x = 0.16, 0.23, 0.32, 0.46, and 0.65.

  3. Unidentified line in x-ray spectra of the Andromeda galaxy and Perseus galaxy cluster.

    Science.gov (United States)

    Boyarsky, A; Ruchayskiy, O; Iakubovskyi, D; Franse, J

    2014-12-19

    We report a weak line at 3.52±0.02  keV in x-ray spectra of the Andromeda galaxy and the Perseus galaxy cluster observed by the metal-oxide-silicon (MOS) and p-n (PN) CCD cameras of the XMM-Newton telescope. This line is not known as an atomic line in the spectra of galaxies or clusters. It becomes stronger towards the centers of the objects; is stronger for Perseus than for M31; is absent in the spectrum of a deep "blank sky" data set. Although for each object it is hard to exclude that the feature is due to an instrumental effect or an atomic line, it is consistent with the behavior of a dark matter decay line. Future (non-)detections of this line in multiple objects may help to reveal its nature.

  4. Nitrogen K-edge X-ray absorption near edge structure (XANES) spectra of purine-containing nucleotides in aqueous solution.

    Science.gov (United States)

    Shimada, Hiroyuki; Fukao, Taishi; Minami, Hirotake; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

    2014-08-07

    The N K-edge X-ray absorption near edge structure (XANES) spectra of the purine-containing nucleotide, guanosine 5'-monophosphate (GMP), in aqueous solution are measured under various pH conditions. The spectra show characteristic peaks, which originate from resonant excitations of N 1s electrons to π* orbitals inside the guanine moiety of GMP. The relative intensities of these peaks depend on the pH values of the solution. The pH dependence is explained by the core-level shift of N atoms at specific sites caused by protonation and deprotonation. The experimental spectra are compared with theoretical spectra calculated by using density functional theory for GMP and the other purine-containing nucleotides, adenosine 5'-monophosphate, and adenosine 5'-triphosphate. The N K-edge XANES spectra for all of these nucleotides are classified by the numbers of N atoms with particular chemical bonding characteristics in the purine moiety.

  5. Atomism, Pragmatism, Holism.

    Science.gov (United States)

    Miller, John P.

    1986-01-01

    Examines three world views influencing curriculum development--atomism (underpinning competency-based education), pragmatism (promoting inquiry-based approaches), amd holism (associated with confluent or Waldorf education). Holism embodies the perennial philosophy and attempts to integrate cognitive, affective, and transpersonal dimensions,…

  6. Atomic Particle Detection

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1970-01-01

    This booklet tells how scientists observe the particles and electromagnetic radiation that emerges from an atomic nucleus. The equipment used falls into two general categories: counters which count each particle as it passes by, and track detectors, which make a photographic record of the particle's track.

  7. Atomic and Molecular Processes

    Science.gov (United States)

    1980-06-25

    The topics investigated experimentally and theoretically by the Pittsburgh Atomic Sciences Institute with applications to high power laser development and atmospheric IR backgrounds are enumerated. Reports containing the detailed scientific progress in these studies are cited. Finally, a list of the journal articles describing the results of the programs, with full references, is given.

  8. Energy from the Atom.

    Science.gov (United States)

    Smith, Patricia L.

    This curriculum guide was written to supplement fifth and sixth grade science units on matter and energy. It was designed to provide more in-depth material on the atom. The first part, "Teacher Guide," contains background information, biographical sketches of persons in the history of nuclear energy, vocabulary, answer sheets, management sheets…

  9. Atomically Traceable Nanostructure Fabrication.

    Science.gov (United States)

    Ballard, Josh B; Dick, Don D; McDonnell, Stephen J; Bischof, Maia; Fu, Joseph; Owen, James H G; Owen, William R; Alexander, Justin D; Jaeger, David L; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J; Wallace, Robert M; Reidy, Richard; Silver, Richard M; Randall, John N; Von Ehr, James

    2015-07-17

    Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure.

  10. Atomic physics and reality

    CERN Multimedia

    1985-01-01

    An account of the long standing debate between Niels Bohr and Albert Einstein regarding the validity of the quantum mechanical description of atomic phenomena.With physicts, John Wheeler (Texas), John Bell (CERN), David Rohm (London), Abner Shimony (Boston), Alain Aspect (Paris)

  11. Spectra of conformal sigma models

    Energy Technology Data Exchange (ETDEWEB)

    Tlapak, Vaclav

    2015-04-15

    In this thesis the spectra of conformal sigma models defined on (generalized) symmetric spaces are analysed. The spaces where sigma models are conformal without the addition of a Wess-Zumino term are supermanifolds, in other words spaces that include fermionic directions. After a brief review of the general construction of vertex operators and the background field expansion, we compute the diagonal terms of the one-loop anomalous dimensions of sigma models on semi-symmetric spaces. We find that the results are formally identical to the symmetric case. However, unlike for sigma models on symmetric spaces, off diagonal terms that lead to operator mixing are also present. These are not computed here. We then present a detailed analysis of the one-loop spectrum of the supersphere S{sup 3} {sup vertical} {sup stroke} {sup 2} sigma model as one of the simplest examples. The analysis illustrates the power and simplicity of the construction. We use this data to revisit a duality with the OSP(4 vertical stroke 2) Gross-Neveu model that was proposed by Candu and Saleur. With the help of a recent all-loop result for the anomalous dimension of (1)/(2)BPS operators of Gross-Neveu models, we are able to recover the entire zero-mode spectrum of the supersphere model. We also argue that the sigma model constraints and its equations of motion are implemented correctly in the Gross-Neveu model, including the one-loop data. The duality is further supported by a new all-loop result for the anomalous dimension of the ground states of the sigma model. However, higher-gradient operators cannot be completely recovered. It is possible that this discrepancy is related to a known instability of the sigma model. The instability of sigma models is due to symmetry preserving high-gradient operators that become relevant at arbitrarily small values of the coupling. This feature has been observed long ago in one-loop calculations of the O(N)-vector model and soon been realized to be a generic

  12. Atomic resolution imaging and spectroscopy of barium atoms and functional groups on graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Boothroyd, C.B., E-mail: ChrisBoothroyd@cantab.net [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Moreno, M.S. [Centro Atómico Bariloche, 8400 – San Carlos de Bariloche (Argentina); Duchamp, M.; Kovács, A. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Monge, N.; Morales, G.M.; Barbero, C.A. [Department of Chemistry, Universidad Nacional de Río Cuarto, X5804BYA Río Cuarto (Argentina); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2014-10-15

    We present an atomic resolution transmission electron microscopy (TEM) and scanning TEM (STEM) study of the local structure and composition of graphene oxide modified with Ba{sup 2+}. In our experiments, which are carried out at 80 kV, the acquisition of contamination-free high-resolution STEM images is only possible while heating the sample above 400 °C using a highly stable heating holder. Ba atoms are identified spectroscopically in electron energy-loss spectrum images taken at 800 °C and are associated with bright contrast in high-angle annular dark-field STEM images. The spectrum images also show that Ca and O occur together and that Ba is not associated with a significant concentration of O. The electron dose used for spectrum imaging results in beam damage to the specimen, even at elevated temperature. It is also possible to identify Ba atoms in high-resolution TEM images acquired using shorter exposure times at room temperature, thereby allowing the structure of graphene oxide to be studied using complementary TEM and STEM techniques over a wide range of temperatures. - Highlights: • Graphene oxide modified with Ba{sup 2+} was imaged using TEM and STEM at 80 kV. • High-resolution images and spectra were obtained only by heating above 400 °C. • Elemental maps show the distribution of C, Ba, O and Ca on the graphene oxide. • Single Ba atoms were identified in STEM HAADF and HRTEM images.

  13. The X-Ray Line Feature At 3.5 Kev In Galaxy Cluster Spectra

    CERN Document Server

    Phillips, K J H; Sylwester, J

    2015-01-01

    Recent work by Bulbul et al. and Boyarsky et al. has suggested that a line feature at approx. 3.5 keV in the X-ray spectra of galaxy clusters and individual galaxies seen with XMM-Newton is due to the decay of sterile neutrinos, a dark matter candidate. This identification has been criticized by Jeltema and Profumo on the grounds that model spectra suggest that atomic transitions in helium-like potassium (K XVIII) and chlorine (Cl XVI) are more likely to be the emitters. Here it is pointed out that the K XVIII lines have been observed in numerous solar flare spectra at high spectral resolution with the RESIK crystal spectrometer and also appear in Chandra HETG spectra of the coronally active star sigma Gem. In addition, the solar flare spectra at least indicate a mean coronal potassium abundance which is a factor of between 9 and 11 higher than the solar photospheric abundance. This fact, together with the low statistical quality of the XMM-Newton spectra, completely accounts for the approx. 3.5 keV feature a...

  14. Sodium atom in strong magnetic fields:a pseudospectral approach

    Institute of Scientific and Technical Information of China (English)

    ZouYuan-Chuan; ZhangZhan-Jun; QiaoHao-Xue

    2003-01-01

    Energies and wavefunctions of low-lying states and Rydberg states for the sodium atom in uniform magnetic fields varying from 0 to 105T are calculated using a pseudospectral approach with a model potential in spherical coordinates. The energies are comparable with experimental results as well as those obtained by other calculations. The spectra of oscillator strength are worked out. The evolution of them with the magnetic field is shown.

  15. Sodium atom in strong magnetic fields: a pseudospectral approach

    Institute of Scientific and Technical Information of China (English)

    邹远川; 张战军; 乔豪学

    2003-01-01

    Energies and wavefunctions of low-lying states and Rydberg states for the sodium atom in uniform magnetic fields varying from 0 to 105T are calculated using a pseudospectral approach with a model potential in spherical coordinates.The energies are comparable with experimental results as well as those obtained by other calculations. The spectra of oscillator strength are worked out. The evolution of them with the magnetic field is shown.

  16. Albedo and Reflection Spectra of Extrasolar Giant Planets

    CERN Document Server

    Sudarsky, D; Pinto, P A; Sudarsky, David; Burrows, Adam; Pinto, Philip

    1999-01-01

    We generate theoretical albedo and reflection spectra for a full range of extrasolar giant planet (EGP) models, from Jovian to 51-Pegasi class objects. Our albedo modeling utilizes the latest atomic and molecular cross sections, a Mie theory treatment of extinction by condensates, a variety of particle size distributions, and an extension of the Feautrier radiative transfer method which allows for a general treatment of the scattering phase function. We find that due to qualitative similarities in the compositions and spectra of objects within each of four broad effective temperature ranges, it is natural to establish four representative EGP albedo classes: a ``Jovian'' class (T$_{\\rm eff} \\lesssim 150$ K; Class I) with tropospheric ammonia clouds, a ``water cloud'' class (T$_{\\rm eff} \\sim 250$ K; Class II) primarily affected by condensed H$_2$O, a ``clear'' class (T$_{\\rm eff} \\gtrsim 350$ K; Class III) which lacks clouds, and a high-temperature class (T$_{\\rm{eff}}$ $\\gtrsim$ 900 K; Class IV) for which alk...

  17. Re II and Other Exotic Spectra in HD 65949

    CERN Document Server

    Cowley, C R; Wahlgren, G M

    2008-01-01

    Powerful astronomical spectra reveal an urgent need for additional work on atomic lines, levels, and oscillator strengths. The star HD 65949 provides some excellent examples of species rarely identified in stellar spectra. For example, the Re II spectrum is well developed, with 17 lines between 3731 and 4904 [A], attributed wholly or partially to Re II. Classifications and oscillator strengths are lacking for a number of these lines. The spectrum of Os II is well identified. Of 14 lines attributed wholly or partially to Os II, only one has an entry in the VALD database. We find strong evidence that Te II is present. There are NO Te II lines in the VALD database. Ru II is clearly present, but oscillator strengths for lines in the visual are lacking. There is excellent to marginal evidence for a number of less commonly identified species, including Kr II, Nb II, Sb II, Xe II, Pr III, Ho III, Au II, and Pt II (probably Pt-198), to be present in the spectrum of HD 65949. The line Hg II at 3984 [A] is of outstandi...

  18. Opacity spectra of silicon and carbon in ICF plasmas

    Science.gov (United States)

    Benredjem, D.; Calisti, A.; Ferri, S.; Gilleron, F.; Mondet, G.; Pain, J.-C.

    2017-03-01

    The knowledge of opacity is very important when one investigates the radiative properties of ICF and astrophysical plasmas. Germanium and silicon are good candidates as dopants in the ablator of some ICF schemes (LMJ in France, NIF at Livermore). In this work we calculate the opacity spectra of silicon and carbon mixtures. Two competitive methods were used. The first one is based on a detailed line calculation in which the atomic database is provided by the MCDF code. A lineshape code based on a fast algorithm was then adapted to the calculation of opacity profiles. All major line broadening mechanisms, including Zeeman splitting and Stark effect, are taken into account. This approach provides accurate opacity spectra but becomes rapidly prohibitive when the number of lines is large. To account for systems involving many ionic stages and thousands of lines, a second approach combines detailed line calculations and statistical calculations. This approach necessitates much smaller calculation times than the first one and is then more appropriate for extensive calculations. The monochromatic opacity and the Rosseland and Planck mean opacities are calculated for relevant densities and temperatures.

  19. Measurement of neutron flux spectra in a Tungsten Benchmark by neutron foil activation method

    OpenAIRE

    Negoita, Cezar Ciprian

    2004-01-01

    The nuclear design of fusion devices such as ITER (International Thermonuclear Experimental Reactor), which is an experimental fusion reactor based on the "tokamak" concept, rely on the results of neutron physical calculations. These depend on the knowledge of the neutron and photon flux spectra which is particularly important because it permits to anticipate the possible answers of the whole structure to phenomena such as nuclear heating, tritium breeding, atomic displaceme...

  20. Probing symmetry and symmetry breaking in resonant soft-x-ray fluorescence spectra of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Glans, P.; Gunnelin, K.; Guo, J. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Conventional non-resonant soft X-ray emission brings about information about electronic structure through its symmetry and polarization selectivity, the character of which is governed by simple dipole rules. For centro-symmetric molecules with the emitting atom at the inversion center these rules lead to selective emission through the required parity change. For the more common classes of molecules which have lower symmetry or for systems with degenerate core orbitals (delocalized over identical sites), it is merely the local symmetry selectivity that provides a probe of the local atomic orbital contribution to the molecular orbital. For instance, in X-ray spectra of first row species the intensities essentially map the p-density at each particular atomic site, and, in a molecular orbital picture, the contribution of the local p-type atomic orbitals in the LCAO description of the molecular orbitals. The situation is different for resonant X-ray fluorescence spectra. Here strict parity and symmetry selectivity gives rise to a strong frequency dependence for all molecules with an element of symmetry. In addition to symmetry selectivity the strong frequency dependence of resonant X-ray emission is caused by the interplay between the shape of a narrow X-ray excitation energy function and the lifetime and vibrational broadenings of the resonantly excited core states. This interplay leads to various observable effects, such as linear dispersion, resonance narrowing and emission line (Stokes) doubling. Also from the point of view of polarization selectivity, the resonantly excited X-ray spectra are much more informative than the corresponding non-resonant spectra. Examples are presented for nitrogen, oxygen, and carbon dioxide molecules.

  1. Rotational structure in molecular infrared spectra

    CERN Document Server

    di Lauro, Carlo

    2013-01-01

    Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in ma

  2. Decomposition of spectra using maximum autocorrelation factors

    DEFF Research Database (Denmark)

    Larsen, Rasmus

    2001-01-01

    into classification or regression type analyses. A featured method for low dimensional representation of multivariate datasets is Hotellings principal components transform. We will extend the use of principal components analysis incorporating new information into the algorithm. This new information consists......This paper addresses the problem of generating a low dimensional representation of the variation present in a set of spectra, e.g. reflection spectra recorded from a series of objects. The resulting low dimensional description may subseque ntly be input through variable selection schemes...... Fourier decomposition these new variables are located in frequency as well as well wavelength. The proposed algorithm is tested on 100 samples of NIR spectra of wheat....

  3. Calculations of magnetic x-ray dichroism in the 3d absorption spectra of rare-earth compounds

    NARCIS (Netherlands)

    GOEDKOOP, JB; THOLE, BT; VANDERLAAN, G; SAWATZKY, GA; DEGROOT, FMF; FUGGLE, JC; de Groot, Frank

    1988-01-01

    We present atomic calculations for the recently discovered magnetic x-ray dichroism (MXD) displayed by the 3d x-ray-absorption spectra of rare-earth compounds. The spectral shapes expected at T=0 K for linear polarization parallel and normal to the local magnetic field is given, together with the te

  4. Collision-induced light scattering spectra of krypton layer confined between graphite slabs - MD simulation

    Science.gov (United States)

    Dawid, A.; Wojcieszyk, D.; Gburski, Z.

    2016-12-01

    We have used the molecular dynamics (MD) simulation method to obtain the collision-induced light scattering spectra of the thin krypton layer confined between two parallel graphite slabs. The simulations have been made under constant density, pressure and temperature condition. We have investigated four thin krypton layers of the thickness ranging from 13 to 24 Å. The 2-, 3- and 4-body correlation functions of collision-induced polarizability anisotropy were calculated. The spectra of colliding krypton atoms were simulated as cosine Fourier transform of the total polarizability anisotropy correlation function. The calculated correlation functions and their spectra show substantial dependence on the distance between graphite slabs. The collision-induced light scattering spectrum of krypton bulk sample was also simulated and compared with the krypton layer between graphite walls. The striking differences between these two systems are observed. We have further extended our analysis of krypton movement between graphite slabs by calculating the mean square displacement functions and diffusion coefficients. The decrease of the diffusion of krypton atoms with the increasing distance between graphite walls has been found. The structure of krypton layer has been also investigated by calculating the density profile and pressure tension across the rift. The distance between graphite slabs, for which the highest mobility of krypton's atoms occurred, has been found.

  5. Kinetic energies to analyze the experimental auger electron spectra by density functional theory calculations

    Science.gov (United States)

    Endo, Kazunaka

    2016-02-01

    In the Auger electron spectra (AES) simulations, we define theoretical modified kinetic energies of AES in the density functional theory (DFT) calculations. The modified kinetic energies correspond to two final-state holes at the ground state and at the transition-state in DFT calculations, respectively. This method is applied to simulate Auger electron spectra (AES) of 2nd periodic atom (Li, Be, B, C, N, O, F)-involving substances (LiF, beryllium, boron, graphite, GaN, SiO2, PTFE) by deMon DFT calculations using the model molecules of the unit cell. Experimental KVV (valence band electrons can fill K-shell core holes or be emitted during KVV-type transitions) AES of the (Li, O) atoms in the substances agree considerably well with simulation of AES obtained with the maximum kinetic energies of the atoms, while, for AES of LiF, and PTFE substance, the experimental F KVV AES is almost in accordance with the spectra from the transitionstate kinetic energy calculations.

  6. Atomic Coherent Trapping and Properties of Trapped Atom

    Institute of Scientific and Technical Information of China (English)

    YANG Guo-Jian; XIA Li-Xin; XIE Min

    2006-01-01

    Based on the theory of velocity-selective coherent population trapping, we investigate an atom-laser system where a pair of counterpropagating laser fields interact with a three-level atom. The influence of the parametric condition on the properties of the system such as velocity at which the atom is selected to be trapped, time needed for finishing the coherent trapping process, and possible electromagnetically induced transparency of an altrocold atomic medium,etc., is studied.

  7. Simulation of Ginger EPR Spectra Obtained by X-Irradiation:Quantum Approach

    Science.gov (United States)

    Laachir, S.; Moussetad, M.; Adhiri, R.; Fahli, A.; Aboulfatah, M.; Mikou, M.

    2005-08-01

    The ginger sample has been exposed to X-rays at cumulative doses. The foodstuffs irradiation is used in particular to improve their hygienic qualities and increase their shelf lives. This process has been approved by various international organizations: FAO -- AIEA -- WHO. In the present work, we propose to reproduce by simulation, based on a quantum approach, of the ESR (Electron Spin Resonance) spectra. The semi-classical approach is valid for a simple system, but not for a complex system such as an atom with hyperfine structure. In this case a quantum approach, based on spin Hamiltonian, is essential to interpret the ESR spectra. The main result is that the simulated spectra are in good agreement with the experimental ones obtained before and after irradiation.

  8. RDANN a new methodology to solve the neutron spectra unfolding problem

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz R, J.M.; Martinez B, M.R.; Vega C, H.R. [UAZ, Av. Ramon Lopez Velarde No. 801, 98000 Zacatecas (Mexico)

    2006-07-01

    The optimization processes known as Taguchi method and DOE methodology are applied to the design, training and testing of Artificial Neural Networks in the neutron spectrometry field, which offer potential benefits in the evaluation of the behavior of the net as well as the ability to examine the interaction of the weights and neurons inside the same one. In this work, the Robust Design of Artificial Neural Networks methodology is used to solve the neutron spectra unfolding problem, designing, training and testing an ANN using a set of 187 neutron spectra compiled by the International Atomic Energy Agency, to obtain the better neutron spectra unfolded from the Bonner spheres spectrometer's count rates. (Author)

  9. Virtual detector methods for efficiently computing momentum-resolved dissociation and ionization spectra

    Science.gov (United States)

    Kramer, Alex; Thumm, Uwe

    2016-05-01

    We discuss a class of window-transform-based ``virtual detector'' methods for computing momentum-resolved dissociation and ionization spectra by numerically analyzing the motion of nuclear or electronic quantum-mechanical wavepackets at the periphery of their numerical grids. While prior applications of such surface-flux methods considered semi-classical limits to derive ionization and dissociation spectra, we systematically include quantum-mechanical corrections and extensions to higher dimensions, discussing numerical convergence properties and the computational efficiency of our method in comparison with alternative schemes for obtaining momentum distributions. Using the example of atomic ionization by co- and counter-rotating circularly polarized laser pulses, we scrutinize the efficiency of common finite-difference schemes for solving the time-dependent Schrödinger equation in virtual detection and standard Fourier-transformation methods for extracting momentum spectra. Supported by the DoE, NSF, and Alexander von Humboldt foundation.

  10. Optical detection of NMR J-spectra at zero magnetic field.

    Science.gov (United States)

    Ledbetter, M P; Crawford, C W; Pines, A; Wemmer, D E; Knappe, S; Kitching, J; Budker, D

    2009-07-01

    Scalar couplings of the form JI(1) x I(2) between nuclei impart valuable information about molecular structure to nuclear magnetic-resonance spectra. Here we demonstrate direct detection of J-spectra due to both heteronuclear and homonuclear J-coupling in a zero-field environment where the Zeeman interaction is completely absent. We show that characteristic functional groups exhibit distinct spectra with straightforward interpretation for chemical identification. Detection is performed with a microfabricated optical atomic magnetometer, providing high sensitivity to samples of microliter volumes. We obtain 0.1 Hz linewidths and measure scalar-coupling parameters with 4-mHz statistical uncertainty. We anticipate that the technique described here will provide a new modality for high-precision "J spectroscopy" using small samples on microchip devices for multiplexed screening, assaying, and sample identification in chemistry and biomedicine.

  11. Optical detection of NMR J-spectra at zero magnetic field

    CERN Document Server

    Ledbetter, M P; Pines, A; Wemmer, D E; Knappe, S; Kitching, J; Budker, D

    2009-01-01

    Scalar couplings of the form J I_1 \\cdot I_2 between nuclei impart valuable information about molecular structure to nuclear magnetic-resonance spectra. Here we demonstrate direct detection of J-spectra due to both heteronuclear and homonuclear J-coupling in a zero-field environment where the Zeeman interaction is completely absent. We show that characteristic functional groups exhibit distinct spectra with straightforward interpretation for chemical identification. Detection is performed with a microfabricated optical atomic magnetometer, providing high sensitivity to samples of microliter volumes. We obtain 0.1 Hz linewidths and measure scalar-coupling parameters with 4-mHz statistical uncertainty. We anticipate that the technique described here will provide a new modality for high-precision "J spectroscopy" using small samples on microchip devices for multiplexed screening, assaying, and sample identification in chemistry and biomedicine.

  12. Systematization of the mass spectra for speciation of inorganic salts with static secondary ion mass spectrometry.

    Science.gov (United States)

    Van Ham, Rita; Van Vaeck, Luc; Adams, Freddy C; Adriaens, Annemie

    2004-05-01

    The analytical use of mass spectra from static secondary ion mass spectrometry for the molecular identification of inorganic analytes in real life surface layers and microobjects requires an empirical insight in the signals to be expected from a given compound. A comprehensive database comprising over 50 salts has been assembled to complement prior data on oxides. The present study allows the systematic trends in the relationship between the detected signals and molecular composition of the analyte to be delineated. The mass spectra provide diagnostic information by means of atomic ions, structural fragments, molecular ions, and adduct ions of the analyte neutrals. The prediction of mass spectra from a given analyte must account for the charge state of the ions in the salt, the formation of oxide-type neutrals from oxy salts, and the occurrence of oxidation-reduction processes.

  13. The high resolution vacuum ultraviolet absorption spectra of the group VI dihydrides and deuterides Rydberg series

    CERN Document Server

    Mayhew, C A

    1984-01-01

    The high resolution absorption spectra of the important group VI dihydrides and deuterides in the vacuum ultraviolet below, and up to, their first ionisation potentials are presented. These spectra were recorded using synchrotron radiation as the background light source in conjunction with a 3m normal incidence vacuum spectrograph, equipped with holographic gratings. Due to the nature of the originating orbital for the majority of optical transitions in the VUV well developed Rydberg series are observed. One particular series can be followed up to fairly high n, so that accurate values of the first ionisation potential are determined. The identifications of the Rydberg series are made from arguments relating to their oscillator strengths, quantum defects, symmetries and from comparisons with the spectra of the corresponding united atoms i.e. the inert gases. Examples of the symmetry assignments for Rydberg series from rotational band contour analyses of the lower Rydberg members for the H sub 2 S, H sub 2 Se ...

  14. Measurement of XUV-absorption spectra of ZnS radiatively heated foils

    CERN Document Server

    Kontogiannopoulmos, Nikolaos; Thais, Frédéric; Chenais-Popovics, Claude; Sauvan, Pascal; Schott, R; Fölsner, Wolfgang; Arnault, Philippe; Poirier, Michel; Blenski, Thomas

    2008-01-01

    Time-resolved absorption of zinc sulfide (ZnS) and aluminum in the XUV-range has been measured. Thin foils in conditions close to local thermodynamic equilibrium were heated by radiation from laser-irradiated gold spherical cavities. Analysis of the aluminum foil radiative hydrodynamic expansion, based on the detailed atomic calculations of its absorption spectra, showed that the cavity emitted flux that heated the absorption foils corresponds to a radiation temperature in the range 55 60 eV. Comparison of the ZnS absorption spectra with calculations based on a superconfiguration approach identified the presence of species Zn6+ - Zn8+ and S5+ - S6+. Based on the validation of the radiative source simulations, experimental spectra were then compared to calculations performed by post-processing the radiative hydrodynamic simulations of ZnS. Satisfying agreement is found when temperature gradients are accounted for.

  15. X-ray absorption spectra of plasmas

    Institute of Scientific and Technical Information of China (English)

    PENG; Yonglun彭永伦; HAN; Xiaoying韩小英; LI; Jiaming李家明; DING; Yaonan丁耀南; YANG; Jiamin杨家敏; ZHENG; Zhijian郑志坚

    2002-01-01

    In this paper we present a theoretical method to calculate the absorption spectra of hot dense plasmas. Based on our fully relativistic treatment incorporated with the quantum defect theory to handle the huge number of transition arrays from many configurations with high principal quantum number, we can calculate the absorption spectra for any element or multi-element plasmas with little computational efforts. We calculate the absorption spectra of C10H1605 plasmas, which are in good agreement with the experimental spectra. We can then provide diagnostic analysis for plasmas in relevant inertial confinement fusion (lCF) experiments; namely not only to determine plasmas' temperatures and densities, but also to provide the population densities of various ionic stages. Our theoretical method verified by "benchmark experiments" will be a basic tool to provide "precise" opacity data for the ICF research.``

  16. Spectra: Time series power spectrum calculator

    Science.gov (United States)

    Gallardo, Tabaré

    2017-01-01

    Spectra calculates the power spectrum of a time series equally spaced or not based on the Spectral Correlation Coefficient (Ferraz-Mello 1981, Astron. Journal 86 (4), 619). It is very efficient for detection of low frequencies.

  17. The electronic spectra of protonated PANH molecules

    CERN Document Server

    Noble, J A; Jouvet, C

    2015-01-01

    Aims. This study was designed to examine the viability of protonated nitrogen-substituted polycyclic aromatic hydrocarbons (H+PANHs) as candidates for the carriers of the diffuse interstellar bands (DIBs). Methods. We obtained the electronic spectra of two protonated PANH cations, protonated acridine and phenanthridine, using parent ion photo-fragment spectroscopy and generated theoretical electronic spectra using ab initio calculations. Results. We show that the spectra of the two species studied here do not correspond to known DIBs. However, based on the general properties derived from the spectra of these small protonated nitrogen-substituted PAHs, we propose that larger H+PANH cations represent good candidates for DIB carriers due to the expected positions of their electronic transitions in the UV-visible and their narrow spectral bands.

  18. Multivariate analysis of endometrial tissue fluorescence spectra

    Science.gov (United States)

    Vaitkuviene, Aurelija; Auksorius, E.; Fuchs, D.; Gavriushin, V.

    2002-10-01

    Background and Objective: The detailed multivariate analysis of endometrial tissue fluorescence spectra was done. Spectra underlying features and classification algorithm were analyzed. An effort has been made to determine the importance of neopterin component in endometrial premalignization. Study Design/Materials and Methods: Biomedical tissue fluorescence was measured by excitation with the Nd YAG laser third harmonic. Multivariate analysis techniques were used to analyze fluorescence spectra. Biomedical optics group at Vilnius University analyzed the neopterin substance supplied by the Institute of Medical Chemistry and Biochemistry of Innsbruck University. Results: Seven statistically significant spectral compounds were found. The classification algorithm classifying samples to histopathological categories was developed and resulted in sensitivity of 80% and specificity 93% for malignant vs. hyperplastic and normal. Conclusions: Fluorescence spectra could be classified with high accuracy. Spectral variation underlying features can be extracted. Neopterin component might play an important role in endometrial hyperplasia development.

  19. Dynamic Radio Spectra from two Fireballs

    CERN Document Server

    Obenberger, K S; Lin, C S; Dowell, J; Schinzel, F K; Stovall, K

    2015-01-01

    We present dynamic spectra from the LWA1 telescope of two large meteors (fireballs) observed to emit between 37 and 54 MHz. These spectra show the first ever recorded broadband measurements of this newly discovered VHF emission. The spectra show that the emission is smooth and steep, getting very bright at lower frequencies. We suggest that this signal is possibly emission of Langmuir waves and that these waves could be excited by a weak electron beam within the trail. The spectra of one fireball displays broadband temporal frequency sweeps. We suggest that these sweeps are evidence of individual expanding clumps of emitting plasma. While some of these proposed clumps may have formed at the very beginning of the fireball event, others must have formed seconds after the initial event.

  20. Modeling Shallow Core-Level Transitions in the Reflectance Spectra of Gallium-Containing Semiconductors

    Science.gov (United States)

    Stoute, Nicholas; Aspnes, David

    2012-02-01

    The electronic structure of covalent materials is typically approached by band theory. However, shallow core level transitions may be better modeled by an atomic-scale approach. We investigate shallow d-core level reflectance spectra in terms of a local atomic-multiplet theory, a novel application of a theory typically used for higher-energy transitions on more ionic type material systems. We examine specifically structure in reflectance spectra of GaP, GaAs, GaSb, GaSe, and GaAs1-xPx due to transitions that originate from Ga3d core levels and occur in the 20 to 25 eV range. We model these spectra as a Ga^+3 closed-shell ion whose transitions are influenced by perturbations on 3d hole-4p electron final states. These are specifically spin-orbit effects on the hole and electron, and a crystal-field effect on the hole, attributed to surrounding bond charges and positive ligand anions. Empirical radial-strength parameters were obtained by least-squares fitting. General trends with respect to anion electronegativity are consistent with expectations. In addition to the spin-orbit interaction, crystal-field effects play a significant role in breaking the degeneracy of the d levels, and consequently are necessary to understand shallow 3d core level spectra.

  1. Consistency of atomic data for the interpretation of beam emission spectra

    NARCIS (Netherlands)

    Delabie, E.; Brix, M.; Giroud, C.; Jaspers, R. J. E.; Marchuk, O.; O' Mullane, M. G.; Ralchenko, Y.; Surrey, E.; von Hellermann, M. G.; Zastrow, K. D.

    2010-01-01

    Several collisional-radiative (CR) models (Anderson et al 2000 Plasma Phys. Control. Fusion 42 781-806, Hutchinson 2002 Plasma Phys. Control. Fusion 44 71-82, Marchuk et al 2008 Rev. Sci. Instrum. 79 10F532) have been developed to calculate the attenuation and the population of excited states of hyd

  2. Optical atomic clocks

    CERN Document Server

    Poli, N; Gill, P; Tino, G M

    2014-01-01

    In the last ten years extraordinary results in time and frequency metrology have been demonstrated. Frequency-stabilization techniques for continuous-wave lasers and femto-second optical frequency combs have enabled a rapid development of frequency standards based on optical transitions in ultra-cold neutral atoms and trapped ions. As a result, today's best performing atomic clocks tick at an optical rate and allow scientists to perform high-resolution measurements with a precision approaching a few parts in $10^{18}$. This paper reviews the history and the state of the art in optical-clock research and addresses the implementation of optical clocks in a possible future redefinition of the SI second as well as in tests of fundamental physics.

  3. Rotary cup slurry atomization

    Science.gov (United States)

    Sommer, H. T.; Marnicio, R. J.

    1983-06-01

    The theory of a two-phase flow in a rotating cup atomizer is described. The analysis considers the separation of the solid and liquid media thus realistically modeling the flow of two layers along the inner cup wall: a slurry of increasing solids concentration and a supernatent liquid layer. The analysis is based on the earlier work of Hinze and Milborn (1950) which addressed the flow within a rotary cup for a homogeneous liquid. The superimposition of a settling velocity under conditions of high centrifugal acceleration permits the extended analysis of the separation of the two phases. Appropriate boundary conditions have been applied to the film's free surface and the cup wall and to match the flow characteristics at the liquid-slurry interface. The changing slurry viscosity, increasing nonlinearly with growing solid loading, was also considered. A parameter study illustrates the potential for a cup design to provide optimal slurry and liquid film thicknesses for effective atomization.

  4. Cavity enhanced atomic magnetometry

    CERN Document Server

    Crepaz, Herbert; Dumke, Rainer

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  5. Cavity enhanced atomic magnetometry.

    Science.gov (United States)

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-10-20

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  6. Atomic emission spectroscopy

    Science.gov (United States)

    Andrew, K. H.

    1975-01-01

    The relationship between the Slater-Condon theory and the conditions within the atom as revealed by experimental data was investigated. The first spectrum of Si, Rb, Cl, Br, I, Ne, Ar, and Xe-136 and the second spectrum of As, Cu, and P were determined. Methods for assessing the phase stability of fringe counting interferometers and the design of an autoranging scanning system for digitizing the output of an infrared spectrometer and recording it on magnetic tape are described.

  7. Atom Interferometry Progress

    Science.gov (United States)

    1990-04-19

    Casher effect . RECENT PUBLICATION Atom Optics, David W. Keith and David E. Pritchard, New frontiers in QED and Quantumoptics, (Plenum Press, New York...frequencies (< 10 Hz) where the passive system is least effective . The reduction of relative motion provided by the active system will allow us to use much...experimental objective will probably be a demonstration of Berry’s phase with bosons. Another possibility would be an improved measurement of the Aharonov

  8. Artificial Rydberg atom

    Energy Technology Data Exchange (ETDEWEB)

    Joe, Yong S. [Center for Computational Nanoscience, Department of Physics and Astronomy, Ball State University, Muncie, IN 47306 (United States)], E-mail: ysjoe@bsu.edu; Mkrtchian, Vanik E. [Institute for Physical Research, Armenian Academy of Sciences, Ashtarak-2, 378410, Republic of Armenia (Armenia); Lee, Sun H. [Center for Computational Nanoscience, Department of Physics and Astronomy, Ball State University, Muncie, IN 47306 (United States)

    2009-03-02

    We analyze bound states of an electron in the field of a positively charged nanoshell. We find that the binding and excitation energies of the system decrease when the radius of the nanoshell increases. We also show that the ground and the first excited states of this system have remarkably the same properties of the highly excited Rydberg states of a hydrogen-like atom, i.e., a high sensitivity to the external perturbations and long radiative lifetimes.

  9. Strange exotic atoms

    Science.gov (United States)

    Friedman, E.

    1998-08-01

    Exotic atoms of K- and Σ- are analyzed using density-dependent optical potentials constrained by a low-density limit. Emphasis is placed on radial sensitivities of the real potential. A potential depth of 180MeV inside nuclei is confirmed for K-. For Σ- a shallow attractive potential outside the nuclear surface becomes repulsive in the interior. The information content of limited data sets is demonstrated.

  10. Atomic lighthouse effect.

    Science.gov (United States)

    Máximo, C E; Kaiser, R; Courteille, Ph W; Bachelard, R

    2014-11-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease in magnetic field efficiency.

  11. The Atomic Lighthouse Effect

    CERN Document Server

    Máximo, C E; Courteille, Ph W; Bachelard, R

    2014-01-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease of the magnetic field efficiency.

  12. Energy Spectra of Abundant Nuclei of Primary Cosmic Rays from the Data of ATIC-2 Experiment: Final Results

    CERN Document Server

    Panov, A D; Ahn, H S; Bashinzhagyan, G L; Watts, J W; Wefel, J P; Wu, J; Ganel, O; Guzik, T G; Zatsepin, V I; Isbert, I; Kim, K C; Christl, M; Kouznetsov, E N; Panasyuk, M I; Seo, E S; Sokolskaya, N V; Chang, J; Schmidt, W K H; Fazely, A R

    2011-01-01

    The final results of processing the data from the balloon-born experiment ATIC-2 (Antarctica, 2002-2003) for the energy spectra of protons and He, C, O, Ne, Mg, Si, and Fe nuclei, the spectrum of all particles, and the mean logarithm of atomic weight of primary cosmic rays as a function of energy are presented. The final results are based on improvement of the methods used earlier, in particular, considerably increased resolution of the charge spectrum. The preliminary conclusions on the significant difference in the spectra of protons and helium nuclei (the proton spectrum is steeper) and the non-power character of the spectra of protons and heavier nuclei (flattening of carbon spectrum at energies above 10 TeV) are confirmed. A complex structure of the energy dependence of the mean logarithm of atomic weight is found.

  13. Real and Hybrid Atomic Orbitals.

    Science.gov (United States)

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  14. Into the atom and beyond

    CERN Multimedia

    1989-01-01

    Magnifying an atom to football pitch size. The dense nucleus, carrying almost all the atomic mass, is much smaller than the ball. The players (the electrons) would see something about the size of a marble!

  15. Interaction of antiprotons with Rb atoms and a comparison of antiproton stopping powers of the atoms H, Li, Na, K, and Rb

    DEFF Research Database (Denmark)

    Lühr, Armin Christian; Fischer, Nicolas; Saenz, Alejandro

    2009-01-01

    Ionization and excitation cross sections as well as electron-energy spectra and stopping powers of the alkali metal atoms Li, Na, K, and Rb colliding with antiprotons were calculated using a time-dependent channel-coupling approach. An impact-energy range from 0.25 to 4000 keV was considered....... The target atoms are treated as effective one-electron systems using a model potential. The results are compared with calculated cross sections for antiproton-hydrogen atom collisions....

  16. Ghost imaging with atoms

    Science.gov (United States)

    Khakimov, R. I.; Henson, B. M.; Shin, D. K.; Hodgman, S. S.; Dall, R. G.; Baldwin, K. G. H.; Truscott, A. G.

    2016-12-01

    Ghost imaging is a counter-intuitive phenomenon—first realized in quantum optics—that enables the image of a two-dimensional object (mask) to be reconstructed using the spatio-temporal properties of a beam of particles with which it never interacts. Typically, two beams of correlated photons are used: one passes through the mask to a single-pixel (bucket) detector while the spatial profile of the other is measured by a high-resolution (multi-pixel) detector. The second beam never interacts with the mask. Neither detector can reconstruct the mask independently, but temporal cross-correlation between the two beams can be used to recover a ‘ghost’ image. Here we report the realization of ghost imaging using massive particles instead of photons. In our experiment, the two beams are formed by correlated pairs of ultracold, metastable helium atoms, which originate from s-wave scattering of two colliding Bose-Einstein condensates. We use higher-order Kapitza-Dirac scattering to generate a large number of correlated atom pairs, enabling the creation of a clear ghost image with submillimetre resolution. Future extensions of our technique could lead to the realization of ghost interference, and enable tests of Einstein-Podolsky-Rosen entanglement and Bell’s inequalities with atoms.

  17. Zitterbewegung in Cold Atoms

    Science.gov (United States)

    Penteado, Poliana; Egues, J. Carlos

    2013-03-01

    In condensed matter systems, the coupling between spatial and spin degrees of freedom through the spin-orbit (SO) interaction offers the possibility of manipulating the electron spin via its orbital motion. The proposal by Datta and Das of a `spin transistor' for example, highlights the use of the SO interaction to control the electron spin via electrical means. Recently, arrangements of crossed lasers and magnetic fields have been used to trap and cool atoms in optical lattices and also to create light-induced gauge potentials, which mimic the SO interactions in real solids. In this work, we investigate the Zitterbewegung in cold atoms by starting from the effective SO Hamiltonian derived in Ref.. Cross-dressed atoms as effective spins can provide a proper setting in which to observe this effect, as the relevant parameter range of SO strengths may be more easily attainable in this context. We find a variety of peculiar Zitterbewegung orbits in real and pseudo-spin spaces, e.g., cycloids and ellipses - all of which obtained with realistic parameters. This work is supported by FAPESP, CAPES and CNPq.

  18. Proceedings of the international seminar on atomic processes in plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Takako; Murakami, Izumi [eds.

    2000-01-01

    The International Seminar on Atomic Processes in Plasmas (ISAPP), a satellite meeting to the ICPEAC was held July 28-29 at the National Institute for Fusion Science in Toki, Gifu, Japan. About 110 scientists attended the ISAPP meeting and discussed atomic processes and atomic data required for fusion research. This Proceedings book includes the papers of the talks, posters and panel discussion given at the meeting. The invited talks described the super configuration array method for complex spectra, near-LTE atomic kinetics, R-matrix calculations, the binary-encounter dipole model for electron-impact ionization of molecules, other calculations of molecular processes, the ADAS project and the NIFS atomic data-base, and a survey of the role of molecular processes in divertor plasmas. On the experimental side crossed-beam ion-ion collision-experiments for charge transfer, and storage-ring and EBIT measurements of ionization, excitation and dielectronic recombination cross-sections were presented, and atomic processes important for x-ray laser experiments and x-ray spectroscopy of astrophysical plasmas were described. The new method of plasma polarization spectroscopy was outlined. There was also a spectroscopic study of particle transport in JT-60U, new results for detached plasmas, and a sketch of the first hot plasma experiments with the Large Helical Device recently completed at NIFS. The 63 of the presented papers are indexed individually. (J.P.N.)

  19. Observing random walks of atoms in buffer gas through resonant light absorption

    CERN Document Server

    Aoki, Kenichiro

    2016-01-01

    Using resonant light absorption, random walk motions of rubidium atoms in nitrogen buffer gas are observed directly. The transmitted light intensity through atomic vapor is measured and its spectrum is obtained, down to orders of magnitude below the shot noise level to detect fluctuations caused by atomic motions. To understand the measured spectra, the spectrum for atoms performing random walks in a gaussian light beam is computed and its analytical form is obtained. The spectrum has $1/f^2$ ($f$: frequency) behavior at higher frequencies, crossing over to a different, but well defined behavior at lower frequencies. The properties of this theoretical spectrum agree excellently with the measured spectrum. This understanding also enables us to obtain the diffusion constant, the photon cross section of atoms in buffer gas and the atomic number density, from a single spectral measurement. We further discuss other possible applications of our experimental method and analysis.

  20. Three-dimensional mapping of single-atom magnetic anisotropy.

    Science.gov (United States)

    Yan, Shichao; Choi, Deung-Jang; Burgess, Jacob A J; Rolf-Pissarczyk, Steffen; Loth, Sebastian

    2015-03-11

    Magnetic anisotropy plays a key role in the magnetic stability and spin-related quantum phenomena of surface adatoms. It manifests as angular variations of the atom's magnetic properties. We measure the spin excitations of individual Fe atoms on a copper nitride surface with inelastic electron tunneling spectroscopy. Using a three-axis vector magnet we rotate the magnetic field and map out the resulting variations of the spin excitations. We quantitatively determine the three-dimensional distribution of the magnetic anisotropy of single Fe atoms by fitting the spin excitation spectra with a spin Hamiltonian. This experiment demonstrates the feasibility of fully mapping the vector magnetic properties of individual spins and characterizing complex three-dimensional magnetic systems.

  1. MULTIPLY CHARGED IONS COLLISIONS WITH ATOMS INTO EXCITED STATES

    Institute of Scientific and Technical Information of China (English)

    PanGuangyan

    1990-01-01

    The emission spectra in collisions between Ions and Atoms have been measured by an Optical Multichannel Analysis System (OMA).The experimental results demonstrate that there are two channels of excitation in collision between single charged ions and atoms and three channels of excitation in collision between double charged ions and atoms.Emission cross cestions and excitation cross sections have been obtained.K.Kadota et al and R.Shingal et al suggested that,under the appropriate conditions,the H42+-Li and He2++Na collision systems can be used efficiently to produce a laser of Lyman-α(30,4nm) and Lyman-β(25.6nm)lines via cascade to He+(2P)state.

  2. The virtual atomic and molecular data centre (VAMDC) consortium

    Science.gov (United States)

    Dubernet, M. L.; Antony, B. K.; Ba, Y. A.; Babikov, Yu L.; Bartschat, K.; Boudon, V.; Braams, B. J.; Chung, H.-K.; Daniel, F.; Delahaye, F.; Del Zanna, G.; de Urquijo, J.; Dimitrijević, M. S.; Domaracka, A.; Doronin, M.; Drouin, B. J.; Endres, C. P.; Fazliev, A. Z.; Gagarin, S. V.; Gordon, I. E.; Gratier, P.; Heiter, U.; Hill, C.; Jevremović, D.; Joblin, C.; Kasprzak, A.; Krishnakumar, E.; Leto, G.; Loboda, P. A.; Louge, T.; Maclot, S.; Marinković, B. P.; Markwick, A.; Marquart, T.; Mason, H. E.; Mason, N. J.; Mendoza, C.; Mihajlov, A. A.; Millar, T. J.; Moreau, N.; Mulas, G.; Pakhomov, Yu; Palmeri, P.; Pancheshnyi, S.; Perevalov, V. I.; Piskunov, N.; Postler, J.; Quinet, P.; Quintas-Sánchez, E.; Ralchenko, Yu; Rhee, Y.-J.; Rixon, G.; Rothman, L. S.; Roueff, E.; Ryabchikova, T.; Sahal-Bréchot, S.; Scheier, P.; Schlemmer, S.; Schmitt, B.; Stempels, E.; Tashkun, S.; Tennyson, J.; Tyuterev, Vl G.; Vujčić, V.; Wakelam, V.; Walton, N. A.; Zatsarinny, O.; Zeippen, C. J.; Zwölf, C. M.

    2016-04-01

    The Virtual Atomic and Molecular Data Centre (VAMDC) Consortium is a worldwide consortium which federates atomic and molecular databases through an e-science infrastructure and an organisation to support this activity. About 90% of the inter-connected databases handle data that are used for the interpretation of astronomical spectra and for modelling in many fields of astrophysics. Recently the VAMDC Consortium has connected databases from the radiation damage and the plasma communities, as well as promoting the publication of data from Indian institutes. This paper describes how the VAMDC Consortium is organised for the optimal distribution of atomic and molecular data for scientific research. It is noted that the VAMDC Consortium strongly advocates that authors of research papers using data cite the original experimental and theoretical papers as well as the relevant databases. .

  3. Long-Range Correlations in Small Atomic Clusters

    Science.gov (United States)

    Nayak, Saroj K.; Ramaswamy, R.

    We study the power spectrum of fluctuations in the potential energy of atoms in small rare-gas clusters. At temperatures when the cluster is in a liquid-like state the spectra have a “1/f” dependence over a wide range of frequency f. This behavior is distinctly different from both the solid phase of clusters or bulk liquid, and is indicative of long-range temporal correlations. The origins of this phenomenon is explored by studying the individual potential-energy distributions in pure and mixed rare-gas clusters, Xe55 and ArXe54, via molecular dynamics simulations. Substitution of atomic impurities acts as an effective probe of the dynamics, and we observe that long-lived memory effects have their origins in hierarchical relaxation processes arising in the motion of the atoms from the surface to the core and vice-versa.

  4. Current Trends in Atomic Spectroscopy.

    Science.gov (United States)

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  5. X-ray spectra induced by 129Xeq+ impacting the metal surface

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Using the slow highly charged ions 129Xeq+ (q = 25, 26, 27; initial kinetic T0≤4.65 keV/a.u.) to impact Au surface, the Au atomic Mα characteristic X-ray spectrum is induced. The result shows that as long as the charge state of projectile is high enough, the heavy atomic characteristic X-ray can be effectively excited even though the incident beam is very weak (nA magnitude), and the X-ray yield per ion is in the order of 10-8 and increases with the kinetic energy and potential energy of projectile. By measuring the Au Mα-X-ray spectra, Au atomic N-level lifetime is estimated at about 1.33×10-18 s based on Heisenberg uncertainty relation.

  6. X-ray spectra induced by 129Xeq+ impacting the metal surface

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Using the slow highly charged ions 129 Xe q+ (q=25,26,27;initial kinetic T0≤4.65 keV/a.u.)to impact Au surface,the Au atomic Mαcharacteristic X-ray spectrum is induced.The result shows that as long as the charge state of projectile is high enough,the heavy atomic characteristic X-ray can be effectively excited even though the incident beam is very weak(nA magnitude),and the X-ray yield per ion is in the order of 10-8and increases with the kinetic energy and potential energy of projectile.By measuring the Au Mα-X-ray spectra,Au atomic N-level lifetime is estimated at about 1.33×10-18s based on Heisenberg uncertainty relation.

  7. Thermal Emission and Albedo Spectra of Super Earths with Flat Transmission Spectra

    CERN Document Server

    Morley, Caroline V; Marley, Mark S; Zahnle, Kevin; Line, Michael; Kempton, Eliza; Lewis, Nikole; Cahoy, Kerri

    2015-01-01

    Planets larger than Earth and smaller than Neptune are some of the most numerous in the galaxy, but observational efforts to understand this population have proved challenging because optically thick clouds or hazes at high altitudes obscure molecular features (Kreidberg et al. 2014b). We present models of super Earths that include thick clouds and hazes and predict their transmission, thermal emission, and reflected light spectra. Very thick, lofted clouds of salts or sulfides in high metallicity (1000x solar) atmospheres create featureless transmission spectra in the near-infrared. Photochemical hazes with a range of particle sizes also create featureless transmission spectra at lower metallicities. Cloudy thermal emission spectra have muted features more like blackbodies, and hazy thermal emission spectra have emission features caused by an inversion layer at altitudes where the haze forms. Close analysis of reflected light from warm (~400-800 K) planets can distinguish cloudy spectra, which have moderate ...

  8. Ionization of atoms by chirped attosecond pulses

    Institute of Scientific and Technical Information of China (English)

    Tan Fang; Peng Liang-You; Gong Qi-Huang

    2009-01-01

    We investigate the ionization dynamics of atoms by chirped attosecond pulses using the strong field approximation method. The pulse parameters are carefully chosen in the regime where the strong field approximation method is valid. We analyse the effects of the chirp of attosecond pulses on the energy distributions and the corresponding left-right asymmetry of the ionized electrons. For a single chirped attosecond pulse, the ionized electrons can be redistributed and the left-right asymmetry shows oscillations because of the introduction of the chirp. For time-delayed double attosecond pulses at different intensities with the weaker one chirped, exchanging the order of the two pulses shows a relative shift of the energy spectra, which can be explained by the different effective time delays of different frequency components because of the chirp.

  9. Synthetic Unruh effect in cold atoms

    CERN Document Server

    Rodriguez-Laguna, Javier; Lewenstein, Maciej; Celi, Alessio

    2016-01-01

    We propose to simulate a Dirac field near an event horizon using ultracold atoms in an optical lattice. Such a quantum simulator allows for the observation of the celebrated Unruh effect. Our proposal involves three stages: (1) preparation of the ground state of a massless 2D Dirac field in Minkowski spacetime; (2) quench of the optical lattice setup to simulate how an accelerated observer would view that state; (3) measurement of the local quantum fluctuation spectra by Raman spectroscopy in order to simulate a De Witt detector. According to Unruh's prediction, fluctuations measured in such a way must be thermal. Moreover, following Takagi's inversion theorem, they will obey a Bose-Einstein distributions which will smoothly transform into Fermi-Dirac as one of the dimensions of the lattice is reduced.

  10. Parameterizing Stellar Spectra Using Deep Neural Networks

    Science.gov (United States)

    Li, Xiang-Ru; Pan, Ru-Yang; Duan, Fu-Qing

    2017-03-01

    Large-scale sky surveys are observing massive amounts of stellar spectra. The large number of stellar spectra makes it necessary to automatically parameterize spectral data, which in turn helps in statistically exploring properties related to the atmospheric parameters. This work focuses on designing an automatic scheme to estimate effective temperature ({T}{eff}), surface gravity ({log}g) and metallicity [Fe/H] from stellar spectra. A scheme based on three deep neural networks (DNNs) is proposed. This scheme consists of the following three procedures: first, the configuration of a DNN is initialized using a series of autoencoder neural networks; second, the DNN is fine-tuned using a gradient descent scheme; third, three atmospheric parameters {T}{eff}, {log}g and [Fe/H] are estimated using the computed DNNs. The constructed DNN is a neural network with six layers (one input layer, one output layer and four hidden layers), for which the number of nodes in the six layers are 3821, 1000, 500, 100, 30 and 1, respectively. This proposed scheme was tested on both real spectra and theoretical spectra from Kurucz’s new opacity distribution function models. Test errors are measured with mean absolute errors (MAEs). The errors on real spectra from the Sloan Digital Sky Survey (SDSS) are 0.1477, 0.0048 and 0.1129 dex for {log}g, {log}{T}{eff} and [Fe/H] (64.85 K for {T}{eff}), respectively. Regarding theoretical spectra from Kurucz’s new opacity distribution function models, the MAE of the test errors are 0.0182, 0.0011 and 0.0112 dex for {log}g, {log}{T}{eff} and [Fe/H] (14.90 K for {T}{eff}), respectively.

  11. Reactions of pulsed laser produced boron and nitrogen atoms in a condensing argon stream

    Science.gov (United States)

    Andrews, Lester; Hassanzadeh, Parviz; Burkholder, Thomas R.; Martin, J. M. L.

    1993-01-01

    Reactions of pulsed laser produced B and N atoms at high dilution in argon favored diboron species. At low laser power with minimum radiation, the dominant reaction with N2 gave BBNN (3Π). At higher laser power, reactions of N atoms contributed the B2N (2B2), BNB (2Σu+), NNBN (1Σ+), and BNBN (3Π) species. These new transient molecules were identified from mixed isotopic patterns, isotopic shifts, and ab initio calculations of isotopic spectra.

  12. Primary populations of metastable antiprotonic $^{4}He$ and $^{3}He$ atoms

    CERN Document Server

    Hori, Masaki; Hayano, R S; Ishikawa, T; Sakuguchi, J; Tasaki, T; Widmann, E; Yamaguchi, H; Torii, H A; Juhász, B; Horváth, D; Yamazaki, T

    2002-01-01

    Initial population distributions of metastable antiprotonic **4He and **3He atoms over principal and angular momentum quantum numbers were investigated using laser spectroscopy. The total fractions of antiprotons captured into the metastable states of the atoms were deduced. Cascade calculations were performed using the measure populations to reproduce the delayed annihilation time spectrum. Results showed agreement between the simulated and measured spectra. (Edited abstract) 30 Refs.

  13. Interactions of satellite-speed helium atoms with satellite surfaces. 2: energy distributions of reflected helium atoms. [7000 m/s

    Energy Technology Data Exchange (ETDEWEB)

    Liu, S.M.; Knuth, E.L.

    1976-04-01

    Energy transfer in collisions of satellite-speed (7,000 m/s) helium atoms with a cleaned 6061-T6 satellite-type aluminum surface was investigated by use of the molecular-beam technique. The amount of energy transferred was determined from the measured energy of the molecular-beam and the measured spatial and energy distributions of the reflected atoms. Spatial distributions of helium atoms scattered from a 6061-T6 aluminum surface were measured. The scattering pattern exhibits a prominent backscattering, probably due to the gross surface roughness and/or the relative lattice softness of the aluminum surface. Energy distributions of reflected helium atoms from the same surface were measured for six different incidence angles. For each incidence angle, distributions were measured at approximately sixty scattering positions. At a given scattering position, the energy spectra of the reflected helium atoms and the background gas were obtained by use of the retarding-field energy analyzer. (auth)

  14. Effects of dark atom excitations

    CERN Document Server

    Cudell, Jean-René; Wallemacq, Quentin

    2014-01-01

    New stable quarks and charged leptons may exist and be hidden from detection, as they are bound by Coulomb interaction in neutral dark atoms of composite dark matter. This possibility leads to fundamentally new types of indirect effects related to the excitation of such dark atoms followed by their electromagnetic de-excitation. Stable -2 charged particles, bound to primordial helium in O-helium (OHe) atoms, represent the simplest model of dark atoms. Here we consider the structure of OHe atomic levels which is a necessary input for the indirect tests of such composite dark matter scenarios, and we give the spectrum of electromagnetic transitions from the levels excited in OHe collisions.

  15. Atom lens without chromatic aberrations

    CERN Document Server

    Efremov, Maxim A; Schleich, Wolfgang P

    2012-01-01

    We propose a lens for atoms with reduced chromatic aberrations and calculate its focal length and spot size. In our scheme a two-level atom interacts with a near-resonant standing light wave formed by two running waves of slightly different wave vectors, and a far-detuned running wave propagating perpendicular to the standing wave. We show that within the Raman-Nath approximation and for an adiabatically slow atom-light interaction, the phase acquired by the atom is independent of the incident atomic velocity.

  16. Topics in atomic collision theory

    CERN Document Server

    Geltman, Sydney; Brueckner, Keith A

    1969-01-01

    Topics in Atomic Collision Theory originated in a course of graduate lectures given at the University of Colorado and at University College in London. It is recommended for students in physics and related fields who are interested in the application of quantum scattering theory to low-energy atomic collision phenomena. No attention is given to the electromagnetic, nuclear, or elementary particle domains. The book is organized into three parts: static field scattering, electron-atom collisions, and atom-atom collisions. These are in the order of increasing physical complexity and hence necessar

  17. Doping of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Kutler, Paul (Technical Monitor)

    1997-01-01

    Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

  18. Heat transport through atomic contacts.

    Science.gov (United States)

    Mosso, Nico; Drechsler, Ute; Menges, Fabian; Nirmalraj, Peter; Karg, Siegfried; Riel, Heike; Gotsmann, Bernd

    2017-02-06

    Heat transport and dissipation at the nanoscale severely limit the scaling of high-performance electronic devices and circuits. Metallic atomic junctions serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects that occur in one-dimensional (1D) systems. Whereas charge transport in atomic junctions has been studied intensively in the past two decades, heat transport remains poorly characterized because it requires the combination of a high sensitivity to small heat fluxes and the formation of stable atomic contacts. Here we report heat-transfer measurements through atomic junctions and analyse the thermal conductance of single-atom gold contacts at room temperature. Simultaneous measurements of charge and heat transport reveal the proportionality of electrical and thermal conductance, quantized with the respective conductance quanta. This constitutes a verification of the Wiedemann-Franz law at the atomic scale.

  19. Background noise spectra of global seismic stations

    Energy Technology Data Exchange (ETDEWEB)

    Wada, M.M.; Claassen, J.P.

    1996-08-01

    Over an extended period of time station noise spectra were collected from various sources for use in estimating the detection and location performance of global networks of seismic stations. As the database of noise spectra enlarged and duplicate entries became available, an effort was mounted to more carefully select station noise spectra while discarding others. This report discusses the methodology and criteria by which the noise spectra were selected. It also identifies and illustrates the station noise spectra which survived the selection process and which currently contribute to the modeling efforts. The resulting catalog of noise statistics not only benefits those who model network performance but also those who wish to select stations on the basis of their noise level as may occur in designing networks or in selecting seismological data for analysis on the basis of station noise level. In view of the various ways by which station noise were estimated by the different contributors, it is advisable that future efforts which predict network performance have available station noise data and spectral estimation methods which are compatible with the statistics underlying seismic noise. This appropriately requires (1) averaging noise over seasonal and/or diurnal cycles, (2) averaging noise over time intervals comparable to those employed by actual detectors, and (3) using logarithmic measures of the noise.

  20. Disk-averaged synthetic spectra of Mars

    Science.gov (United States)

    Tinetti, Giovanna; Meadows, Victoria S.; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

    2005-01-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

  1. Atomic mechanics of solids

    CERN Document Server

    MacPherson, A K

    1990-01-01

    This volume brings together some of the presently available theoretical techniques which will be useful in the design of solid-state materials. At present, it is impossible to specify the atomic composition of a material and its macroscopic physical properties. However, the future possibilities for such a science are being laid today. This is coming about due to the development of fast, cheap computers which will be able to undertake the calculations which are necessary.Since this field of science is fairly new, it is not yet quite clear which direction of analysis will eventually prov

  2. Atom Probe Tomography 2012

    Science.gov (United States)

    Kelly, Thomas F.; Larson, David J.

    2012-08-01

    In the world of tomographic imaging, atom probe tomography (APT) occupies the high-spatial-resolution end of the spectrum. It is highly complementary to electron tomography and is applicable to a wide range of materials. The current state of APT is reviewed. Emphasis is placed on applications and data analysis as they apply to many fields of research and development including metals, semiconductors, ceramics, and organic materials. We also provide a brief review of the history and the instrumentation associated with APT and an assessment of the existing challenges in the field.

  3. Atomic data for fusion

    Energy Technology Data Exchange (ETDEWEB)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.

    1990-07-01

    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  4. Achieving atomic resolution

    Directory of Open Access Journals (Sweden)

    John Spence

    2002-04-01

    Full Text Available The discovery of the nanotube in 19915 by high resolution electron microscopy (HREM, following closely on the discovery of fullerenes, has initiated a new field of science known as nanoscience. (In fact the fullerene buckyball itself was first observed in 1980, by HREM1. While nanoscience now spans many disciplines, from molecular biology to quantum computing, for all of them, the HREM technique has become the indispensable tool for analyzing the atomic structure of individual bulk nanostructural elements. However this method has long been the technique of choice whenever questions of microstructural characterization arise in materials science.

  5. Scaled-energy spectroscopy of helium \\|M\\|=1 Rydberg atoms in a static electric field

    Science.gov (United States)

    Kips, Annemieke; Vassen, Wim; Hogervorst, Wim; Dando, Paul A.

    1998-10-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. \\|M\\|=1 states were studied in excitation from the 2 1S0 metastable state. Spectra were recorded for ɛ=-2.940(4), ɛ=-2.350(4), both below the saddle point, and ɛ=-1.760(4), above the saddle point. Closed-orbit theory was applied to interpret the spectra. A recent extension to closed-orbit theory, incorporating core effects, was used. This significantly improved agreement between experiment and theory.

  6. Local determination of the amount of integration of an atom into a crystal surface

    Science.gov (United States)

    Volgmann, K.; Gawronski, H.; Zaum, Ch; Rusina, G. G.; Borisova, S. D.; Chulkov, E. V.; Morgenstern, K.

    2014-10-01

    Collective vibrational modes of crystal lattices, called phonons, determine fundamental material properties, such as their thermal and electrical conductivities. Bulk phonon spectra are influenced by point defects. More recently, the importance of phonons on nanostructures has come into the focus of attention. Here we show a spatially resolved phonon spectra of point defects that reveal distinctly different signatures for a cavity alone and an impurity atom fully integrated into the surface as opposed to one placed into a cavity. The spectra are indicative for delocalized phonons and localized vibrations, respectively, as confirmed by theory.

  7. Determination of the fast neutrons spectra by the Elastic scattering method (n, p)

    CERN Document Server

    Elizalde, J

    1973-01-01

    This work consists in determining the fast neutron spectra emitted by a Pu-Be isotopic source. The implemented technique is based in the spectrometry (n, p). This consists in making to fall on a fast neutrons beams (polyenergetic) over a thin film of hydrogenated material, detecting the spectra of emitted protons at a fix angle. The polyethylene film and the used solid state detector are inside of a vacuum chamber. The detector is placed at 30 degree with respect to direction of the incident neutrons beam. The protons spectra is stored in a multichannel. the energy is obtained with the prior calibration of the system. The data processing involves the transformation of the protons spectra observed at the falling on neutrons spectra over the film. The energy of the neutrons is related with that of the protons, according to the collision kinematical equations. The cross section of elastic collision of the neutrons with the hydrogen atoms is obtained from literature. Applying these relations to the observed spect...

  8. Crystal field spectra of lunar pyroxenes.

    Science.gov (United States)

    Burns, R. G.; Abu-Eid, R. M.; Huggins, F. E.

    1972-01-01

    Absorption spectra in the visible and near infrared regions have been obtained for pyroxene single crystals in rocks from the Apollo 11, 12, 14, and 15 missions. The polarized spectra are compared with those obtained from terrestrial calcic clinopyroxenes, subcalcic augites, pigeonites, and orthopyroxenes. The lunar pyroxenes contain several broad, intense absorption bands in the near infrared, the positions of which are related to bulk composition, Fe(2+) site occupancy and structure type of the pyroxene. The visible spectra contain several sharp, weak peaks mainly due to spin-forbidden transitions in Fe(2+). Additional weak bands in this region in Apollo 11 pyroxenes are attributed to Ti(3+) ions. Spectral features from Fe(3+), Mn(2+), Cr(3+), and Cr(2+) were not observed.

  9. Janus Spectra in Two-Dimensional Flows

    Science.gov (United States)

    Liu, Chien-Chia; Cerbus, Rory T.; Chakraborty, Pinaki

    2016-09-01

    In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α , may theoretically take either of two distinct values, 3 or 5 /3 , but measurements downstream of obstacles have invariably revealed α =3 . Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5 /3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows.

  10. Vibrational spectra of molecular fluids in nanopores

    Science.gov (United States)

    Arakcheev, V. G.; Morozov, V. B.

    2012-12-01

    Coherent anti-Stokes Raman spectroscopy (CARS) is applied for quantitative analysis of carbon dioxide phase composition in pores of nanoporous glass samples at nearcritical temperatures. Measurements of the 1388 1/cm Q-branch were made in a wide pressure range corresponding to coexistence of gas (gas-like), adsorbed and condensed phases within pores. At temperatures several degrees below the critical value, CARS spectra behavior is easy to interpret in terms of thermodynamic model of surface adsorption and capillary condensation. It allows estimating mass fractions of different phase components. Moreover, spectra measured at near critical temperatures 30.5 and 33°C have pronounced inhomogeneous shapes and indicate the presence of condensed phase in the volume of pores. The effect obviously reflects the fluid behaviour near the critical point in nanopores. Pores with smaller radii are filled with condensed phase at lower pressures. The analysis of the CARS spectra is informative for quantitative evaluation of phase composition in nanopores.

  11. [Vibrational spectra of Hetian nephrite from Xinjiang].

    Science.gov (United States)

    Zhang, Yong-wang; Liu, Yan; Liu, Tao-tao; Muhetaer, Zari; Liu, Yuan-qing

    2012-02-01

    In previous studies, EMPA, PIXE and others were employed to study the chemical compositions of nephrite separately without a systematical measurement. In the present study, XRF, XRD, IR and LR were used together to examine chemical and spectra characteristics of white, green and black nephrite from Hetian, Xinjiang. XRD results indicate that all nephrite samples consist of tremolite. Then IR spectra of nephrite samples suggest that the M-OH stretching vibration bands show that the M1 and M3 sites are not only occupied by Mg2+ and Fe2+, but also by Fe3+, which is consistent with the chemical compositions of these samples. This information might be useful to understanding the variety of nephrite. Their Raman spectra are almost the same, while some differences exist because of different content of FeO/Fe2O3.

  12. High precision radial velocities with GIANO spectra

    CERN Document Server

    Carleo, I; Gratton, R; Benatti, S; Bonavita, M; Oliva, E; Origlia, L; Desidera, S; Claudi, R; Sissa, E

    2016-01-01

    Radial velocities (RV) measured from near-infrared (NIR) spectra are a potentially excellent tool to search for extrasolar planets around cool or active stars. High resolution infrared (IR) spectrographs now available are reaching the high precision of visible instruments, with a constant improvement over time. GIANO is an infrared echelle spectrograph at the Telescopio Nazionale Galileo (TNG) and it is a powerful tool to provide high resolution spectra for accurate RV measurements of exoplanets and for chemical and dynamical studies of stellar or extragalactic objects. No other high spectral resolution IR instrument has GIANO's capability to cover the entire NIR wavelength range (0.95-2.45 micron) in a single exposure. In this paper we describe the ensemble of procedures that we have developed to measure high precision RVs on GIANO spectra acquired during the Science Verification (SV) run, using the telluric lines as wavelength reference. We used the Cross Correlation Function (CCF) method to determine the v...

  13. Soil emissivity and reflectance spectra measurements.

    Science.gov (United States)

    Sobrino, José A; Mattar, Cristian; Pardo, Pablo; Jiménez-Muñoz, Juan C; Hook, Simon J; Baldridge, Alice; Ibañez, Rafael

    2009-07-01

    We present an analysis of the laboratory reflectance and emissivity spectra of 11 soil samples collected on different field campaigns carried out over a diverse suite of test sites in Europe, North Africa, and South America from 2002 to 2008. Hemispherical reflectance spectra were measured from 2.0 to 14 microm with a Fourier transform infrared spectrometer, and x-ray diffraction analysis (XRD) was used to determine the mineralogical phases of the soil samples. Emissivity spectra were obtained from the hemispherical reflectance measurements using Kirchhoff's law and compared with in situ radiance measurements obtained with a CIMEL Electronique CE312-2 thermal radiometer and converted to emissivity using the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) temperature and emissivity separation algorithm. The CIMEL has five narrow bands at approximately the same positions as the ASTER. Results show a root mean square error typically below 0.015 between laboratory emissivity measurements and emissivity measurements derived from the field radiometer.

  14. Synthetic spectra: a tool for correlation spectroscopy.

    Science.gov (United States)

    Sinclair, M B; Butler, M A; Ricco, A J; Senturia, S D

    1997-05-20

    We show that computer-generated diffractive optical elements can be used to synthesize the infrared spectra of important compounds, and we describe a modified phase-retrieval algorithm useful for the design of elements of this type. In particular, we present the results of calculations of diffractive elements that are capable of synthesizing portions of the infrared spectra of gaseous hydrogen fluoride (HF) and trichloroethylene (TCE). Further, we propose a new type of correlation spectrometer that uses these diffractive elements rather than reference cells for the production of reference spectra. Storage of a large number of diffractive elements, each producing a synthetic spectrum corresponding to a different target compound, in compact-disk-like format will allow a spectrometer of this type to rapidly determine the composition of unknown samples. Other advantages of the proposed correlation spectrometer are also discussed.

  15. Fast inversion of solar Ca II spectra

    CERN Document Server

    Beck, C; Rezaei, R; Louis, R E

    2014-01-01

    We present a fast (<< 1 s per profile) inversion code for solar Ca II lines. The code uses an archive of spectra that are synthesized prior to the inversion under the assumption of local thermodynamic equilibrium (LTE). We show that it can be successfully applied to spectrograph data or more sparsely sampled spectra from two-dimensional spectrometers. From a comparison to a non-LTE inversion of the same set of spectra, we derive a first-order non-LTE correction to the temperature stratifications derived in the LTE approach. The correction factor is close to unity up to log tau ~ -3 and increases to values of 2.5 and 4 at log tau = -6 in the quiet Sun and the umbra, respectively.

  16. Collective spectra along the fission barrier

    Directory of Open Access Journals (Sweden)

    Pigni M. T.

    2012-12-01

    Full Text Available Discrete and continuous spectra of fissioning nuclei at the humps of fission barriers (Bohr transition states and in the intermediate wells (superdeformed and hyperdeformed states play a key role in the calculation of fission cross sections. A theoretical evaluation of the collective parts of the spectra is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two–cluster configurations in a dynamical way, permitting exchange of upper–shell nucleons between clusters. The impact of theoretical spectra on neutron–induced fission cross sections and, in combination with an improved version of the scission–point model, on angular distribution of fission fragments is evaluated for plutonium isotopes of interest to nuclear energy applications.

  17. X-ray Emission of Hollow Atoms

    Institute of Scientific and Technical Information of China (English)

    ZhaoYongtao; XiaoGuoqing; ZhangXiaoan; YangZhihu; ChenXimeng; ZhangYanping

    2003-01-01

    We have systematically investigated the X-rays emission of hollow atoms (HA) which formed in the interaction of highly charged ions with a variety of solid surfaces at the atomic physics experimental setup of IMP. The X-ray spectra were measured by Si(Li) detectors with effective energy ranging from 1 keV to 60 keV. The results show that, the X-ray emission from the formed HA is closely correlated with the charge state of the projectile ions, and weakly correlated with the velocity of the projectile ions. For example, it was found that when Ar18+ ions interact with Be-target, the yield of K X-ray with character energy of 3.0 keV is 7.2×10-3 per ion, which is two times and 5 order of magnitude higher than those in the interactions of Ar17+ and Ar16+ ions respectively. When Ar15+ ions interact with the same targets, the Argon K X-ray would be too feeble to be detected. The X-ray yield with single ion in this experiment can be represented by the following equation,

  18. Neuromorphic atomic switch networks.

    Directory of Open Access Journals (Sweden)

    Audrius V Avizienis

    Full Text Available Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system.

  19. Ghost Imaging with Atoms

    CERN Document Server

    Khakimov, R I; Shin, D K; Hodgman, S S; Dall, R G; Baldwin, K G H; Truscott, A G

    2016-01-01

    Ghost imaging is a technique -- first realized in quantum optics -- in which the image emerges from cross-correlation between particles in two separate beams. One beam passes through the object to a bucket (single-pixel) detector, while the second beam's spatial profile is measured by a high resolution (multi-pixel) detector but never interacts with the object. Neither detector can reconstruct the image independently. However, until now ghost imaging has only been demonstrated with photons. Here we report the first realisation of ghost imaging of an object using massive particles. In our experiment, the two beams are formed by correlated pairs of ultracold metastable helium atoms, originating from two colliding Bose-Einstein condensates (BECs) via $s$-wave scattering. We use the higher-order Kapitza-Dirac effect to generate the large number of correlated atom pairs required, enabling the creation of a ghost image with good visibility and sub-millimetre resolution. Future extensions could include ghost interfe...

  20. Investigation of the atomic emission spectroscopy of F atoms and CF2 molecules in CF4 plasma processing

    Science.gov (United States)

    Jin, Huiliang; Li, Jie; Tang, Caixue; Deng, Wenhui; Chen, Xianhua

    2016-10-01

    The surface chemistry reaction involved in the processing of Atmospheric Pressure Plasma Jet (APPJ) produced from CF4 precursor has been explored. The atomic emission spectroscopy of F atoms and CF2 molecules was investigated as they contribute to substrate etching and FC film formation during APPJ processing. Optical emission spectroscopy (OES) spectra were acquired for CF4 plasma, relative concentrations of excited state species of F atoms and CF2 molecules were also dependent upon plasma parameters. The densities of F atoms increased dramatically with increasing applied RF power, whereas CF2 molecules decreased monotonically over the same power range, the subsequent electron impacted decomposition of plasma species after CF4 precursor fragmentation. The spectrum of the F atoms and CF2 molecules fallowed the same tendency with the increasing concentration of gas CF4, reaching the maximum at the 20sccm and 15sccm respectively, and then the emission intensity of reactive atoms decreased with more CF4 molecules participating. Addition certain amount O2 into CF4 plasma resulted in promoting CF4 dissociation, O2 can easily react with the dissociation product of CF2 molecules, which inhibit the compound of the F atoms, so with the increasing concentration of O2, the concentration of the CF2 molecules decreased and the emission intensities of F atoms showed the maximum at the O2/CF4 ratio of 20%. These results have led to the development of a scheme that illustrates the mechanisms of surface chemistry reaction and the affection of plasma parameters in CF4 plasma systems with respect to F and CF2 gas-phase species.

  1. Algorithms for classification of astronomical object spectra

    Science.gov (United States)

    Wasiewicz, P.; Szuppe, J.; Hryniewicz, K.

    2015-09-01

    Obtaining interesting celestial objects from tens of thousands or even millions of recorded optical-ultraviolet spectra depends not only on the data quality but also on the accuracy of spectra decomposition. Additionally rapidly growing data volumes demands higher computing power and/or more efficient algorithms implementations. In this paper we speed up the process of substracting iron transitions and fitting Gaussian functions to emission peaks utilising C++ and OpenCL methods together with the NOSQL database. In this paper we implemented typical astronomical methods of detecting peaks in comparison to our previous hybrid methods implemented with CUDA.

  2. Hadron rapidity spectra within a hybrid model

    CERN Document Server

    Khvorostukhin, A S

    2016-01-01

    A 2-stage hybrid model is proposed that joins the fast initial state of interaction, described by the hadron string dynamics (HSD) model, to subsequent evolution of the expanding system at the second stage, treated within ideal hydrodynamics. The developed hybrid model is assigned to describe heavy-ion collisions in the energy range of the NICA collider under construction in Dubna. Generally, the model is in reasonable agreement with the available data on proton rapidity spectra. However, reproducing proton rapidity spectra, our hybrid model cannot describe the rapidity distributions of pions. The model should be improved by taking into consideration viscosity effects at the hydrodynamical stage of system evolution.

  3. FIT3D: Fitting optical spectra

    Science.gov (United States)

    Sánchez, S. F.; Pérez, E.; Sánchez-Blázquez, P.; González, J. J.; Rosales-Ortega, F. F.; Cano-Díaz, M.; López-Cobá, C.; Marino, R. A.; Gil de Paz, A.; Mollá, M.; López-Sánchez, A. R.; Ascasibar, Y.; Barrera-Ballesteros, J.

    2016-09-01

    FIT3D fits optical spectra to deblend the underlying stellar population and the ionized gas, and extract physical information from each component. FIT3D is focused on the analysis of Integral Field Spectroscopy data, but is not restricted to it, and is the basis of Pipe3D, a pipeline used in the analysis of datasets like CALIFA, MaNGA, and SAMI. It can run iteratively or in an automatic way to derive the parameters of a large set of spectra.

  4. Spectra of neutral carbon for plasma diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.G.; Kato, M.; Kato, T.

    2000-10-01

    Recently, carbon pellet experiments have been performed on W-7AS and a few CI lines have been observed in the situation of the pellet cloud from the cold dense plasma to hot ambient plasma. In so large varied conditions, the collisional radiative (CR) model is needed to study the spectra. In this article, a CR model including 79 states with n {<=} 6 and l {<=} 4 is developed, and then the line spectra and line intensity ratios are evaluated in the ionizing and recombining plasma, respective. (author)

  5. Vibrational spectra study on quinolones antibiotics

    Science.gov (United States)

    Wang, Yu; Yu, Ke; Wang, Sihuan

    2006-09-01

    In order to be able to fully understand and easily identify the quilonoles, we collected IR and Raman spectra of six quinolones, and attempted to assign the attribution of the observed frequencies and their association with specific modes of vibration. According to the structure, the compounds were divided into the groups, and the similarities and differences were further studied by comparing. The result of the study shows that the frequency and intensity are comparable to the corresponding structure. The spectra not only have the commonness but also the individualities.

  6. Nonlinear FMR spectra in yttrium iron garnet

    Directory of Open Access Journals (Sweden)

    Yu.M. Bunkov, P.M. Vetoshko, I.G. Motygullin, T.R. Safin, M.S. Tagirov, N.A. Tukmakova

    2015-12-01

    Full Text Available Results of demagnetizing effect studies in yttrium iron garnet Y3Fe5O12 thin films are reported. Experiments were performed on X-Band of electron paramagnetic resonance spectrometer at room temperature. The ferromagnetic resonance (FMR spectra were obtained for one-layer single crystal YIG films for different values of the applied microwave power. Nonlinear FMR spectra transformation by the microwave power increasing in various directions of magnetic field sweep was observed. It is explained by the influence of the demagnetization action of nonequilibrium magnons.

  7. Preprocessing of ionospheric echo Doppler spectra

    Institute of Scientific and Technical Information of China (English)

    FANG Liang; ZHAO Zhengyu; WANG Feng; SU Fanfan

    2007-01-01

    The real-time information of the distant ionosphere can be acquired by using the Wuhan ionospheric oblique backscattering sounding system(WIOBSS),which adopts a discontinuous wave mechanism.After the characteristics of the ionospheric echo Doppler spectra were analyzed,the signal preprocessing was developed in this paper,which aimed at improving the Doppler spectra.The results indicate that the preprocessing not only makes the system acquire a higher ability of target detection but also suppresses the radio frequency interference by 6-7 dB.

  8. Spectra of Linear Polyene Molecule-canthaxanthin

    Institute of Scientific and Technical Information of China (English)

    OUYANG Shun-li; LI Zuo-wei; CHEN Yuan-zheng; MEN Zhi-wei; WU Nan-nan; SUN Cheng-lin

    2011-01-01

    Raman spectra and ultraviolet-visible(UV-Vis) absorption spectra of linear polyene molecule-canthaxanthin in n-hexane are measured and analyzed.In addition,the optimized structure of canthaxanthin was calculated via density functional theory(DFT) functional B3LYP.With decreasing the concentration,Raman scattering cross section (RSCS) of fundamental frequency is extremely high,and the UV-Vis absorption bands become narrower.The results of coherent weakly damped electron-Lattice vibration model were analyzed.

  9. Parallel Genetic Algorithm for Alpha Spectra Fitting

    Science.gov (United States)

    García-Orellana, Carlos J.; Rubio-Montero, Pilar; González-Velasco, Horacio

    2005-01-01

    We present a performance study of alpha-particle spectra fitting using parallel Genetic Algorithm (GA). The method uses a two-step approach. In the first step we run parallel GA to find an initial solution for the second step, in which we use Levenberg-Marquardt (LM) method for a precise final fit. GA is a high resources-demanding method, so we use a Beowulf cluster for parallel simulation. The relationship between simulation time (and parallel efficiency) and processors number is studied using several alpha spectra, with the aim of obtaining a method to estimate the optimal processors number that must be used in a simulation.

  10. Rotational Spectra of Phenylalanine, Tirosine and Tryptophan

    Science.gov (United States)

    Mata, S.; Perez, C.; Sanz, M. E.; Blanco, S.; López, J. C.; Alonso, J. L.

    2009-06-01

    The rotational spectra of the aromatic natural amino acids phenylalanine, tyrosine and tryptophan have been investigated by Laser Ablation Molecular Beam Fourier transform Microwave Spectroscopy LA-MB-FTMW. The spectra of two rotamers of phenylalanine have been detected in the supersonic expansion. Both forms are stabilized by a chain of intramolecular hydrogen bonds O-H\\cdotsN-H\\cdots{π}, being the carboxylic group incis configuration. One conformer of tyrosine, which only differs from phenylalanine in a -OH group inpara position, has been also characterized. Preliminary results on the rotational spectrum of tryptophan are presented.

  11. Atom-by-atom assembly of defect-free one-dimensional cold atom arrays

    Science.gov (United States)

    Endres, Manuel; Bernien, Hannes; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R.; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D.

    2016-11-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a platform for the deterministic preparation of regular one-dimensional arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of more than 50 atoms in less than 400 milliseconds. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach may enable controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  12. A kilobyte rewritable atomic memory

    Science.gov (United States)

    Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.; Girovsky, J.; Toskovic, R.; Lado, J. L.; Fernández-Rossier, J.; Otte, A. F.

    2016-11-01

    The advent of devices based on single dopants, such as the single-atom transistor, the single-spin magnetometer and the single-atom memory, has motivated the quest for strategies that permit the control of matter with atomic precision. Manipulation of individual atoms by low-temperature scanning tunnelling microscopy provides ways to store data in atoms, encoded either into their charge state, magnetization state or lattice position. A clear challenge now is the controlled integration of these individual functional atoms into extended, scalable atomic circuits. Here, we present a robust digital atomic-scale memory of up to 1 kilobyte (8,000 bits) using an array of individual surface vacancies in a chlorine-terminated Cu(100) surface. The memory can be read and rewritten automatically by means of atomic-scale markers and offers an areal density of 502 terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude. Furthermore, the chlorine vacancies are found to be stable at temperatures up to 77 K, offering the potential for expanding large-scale atomic assembly towards ambient conditions.

  13. Can Atomic Force Microscopy Achieve Atomic Resolution in Contact Mode?

    Science.gov (United States)

    Jarvis, M. R.; Pérez, Rubén; Payne, M. C.

    2001-02-01

    Atomic force microscopy operating in the contact mode is studied using total-energy pseudopotential calculations. It is shown that, in the case of a diamond tip and a diamond surface, it is possible for a tip terminated by a single atom to sustain forces in excess of 30 nN. It is also shown that imaging at atomic resolution may be limited by blunting of the tip during lateral scanning.

  14. Studies of EPES REELS spectra of polyethylenes aided by line shape analysis-Effect of electron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Lesiak, B., E-mail: blo@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, ul. Kasprzaka 44/52, 01-224 Warsaw (Poland); Zemek, J.; Houdkova, J.; Jiricek, P. [Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 162 53 Prague 6 (Czech Republic); Jozwik, A. [Institute of Biocybernetics and Biomedical Engineering, Polish Academy of Sciences, ul. Ksiecia Trojdena, 02-109 Warsaw (Poland); Faculty of Physics and Applied Informatics, University of Lodz, Pomorska 149/153, 90-236 Lodz (Poland)

    2011-07-15

    Highlights: {yields} Studies of different density, branching and crystallographic order polyethylenes. {yields} Degradation due to electron beam. {yields} Line shape analysis of EPES REELS spectra by the pattern recognition method. {yields} Evaluation of surface hydrogen content. {yields} Highest stability of polyethylene of largest molecular weight, crystallographic order and least branching. - Abstract: Polyethylenes of different density, branching structure, crystallographic order, and their degradation due to electron beam were studied using elastic peak electron spectroscopy (EPES) and reflection electron energy loss spectroscopy (REELS) aided with line shape analysis by the pattern recognition (PR) method. This approach offers an algorithm of classification derived from a reference set, i.e. set of spectra recorded from standards exposed to low electron dose (about few C m{sup -2}), i.e. polyethylene (100% of C sp{sup 3} bonds) and polystyrene (75% of C sp{sup 2} bonds). Then, the obtained classifier is applied for identification of spectra recorded from polyethylenes exposed to electron beam (doses from 40 to 60 C m{sup -2}). The EPES REELS spectra are analyzed in the vicinity of electron quasi-elastic and inelastic losses. Due to electrons undergoing a quasi-elastic scattering from atoms of different atomic numbers, i.e. carbon and hydrogen, for undamaged polymers the surface hydrogen content can be evaluated. Changes due to electron irradiation in polyethylenes are indicated by decreasing content of hydrogen, increasing C sp{sup 2} content and changes in the {pi} loss peak in the REELS spectra. Results of PR method are consistent with results obtained from the C 1s XPS spectra fitting and the width of C KLL XAES spectra (parameter D). Highest stability under electron irradiation was shown by polyethylene of largest molecular weight and most linear branching structure. Application of the PR method to EPES REELS spectra allows to distinguish different

  15. Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra

    Energy Technology Data Exchange (ETDEWEB)

    Katakura, J. (Japan Atomic Energy Research Inst., Tokai-mura, Naka-gun, Ibaraki-ken (Japan)); England, T.R. (Los Alamos National Lab., NM (United States))

    1991-11-01

    Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs.

  16. Atomic Tests of Symmetry Principles.

    Science.gov (United States)

    Davies, I. O. G.

    Available from UMI in association with The British Library. Requires signed TDF. Parity non-conserving effects in atoms due to the neutral weak current interaction can be enhanced in two ways: by exploiting the Z-dependence and by using a near degeneracy between opposite parity states. In this thesis a case where both enhancements are simultaneously present is considered: samarium has Z = 62 and the states 4f^66s6p ^7G_sp{1} {0} and 4f^66d5d ^7F_1 are only 320 GHz apart. A calculation by Gongora and Sandars (1986) yields a value for R = Im ^{rm PNC}/ of 10^{-4}. To assess the feasibility of utilizing this gain to detect PNC effects a number of exploratory experiments have been performed and a new type of optical rotation experiment, involving crossed electric and magnetic fields, has been considered. Results are presented for the E1 transition 4f^6 6s^2 ^7F _0 - 4f^66s6p ^7G_1 at 639 nm which include analyses of the absorption spectrum (both Doppler-broadened and Doppler-free), the Faraday and the Stark induced rotation. The data include measurements of isotope shifts and hyperfine structure constants, the oscillator strength (from the deduced natural linewidth) and the broadening constant for the He-Sm system. Zeeman and optical coherences were discovered to be important in the analysis of the rotation spectra and a theoretical treatment involving density matrix equations is presented. In addition, for the odd isotopes, effects of optical pumping have also been considered. The Stark rotation was analysed giving |(4f^66s5d ^7F_1|er |4f^66s6p ^7G_1| = 0cdot85(5) e a_0 . The M1 resonance was located by Stark mixing and the background Faraday rotation in this region investigated. It is concluded that because of observed background, the low E1 transition amplitude measured and the low work function of samarium making the application of high electrical fields in the oven difficult that a PNC optical rotation experiment is unlikely to offer any advantage over existing

  17. Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

    DEFF Research Database (Denmark)

    van der Heijden, Nadine J.; Smith, Daniel; Calogero, Gaetano

    2016-01-01

    Doping graphene by heteroatoms such as nitrogen presents an attractive route to control the position of the Fermi level in the material. We prepared N-doped graphene on Cu(111) and Ir(111) surfaces via chemical vapor deposition of two different molecules. Using scanning tunneling microscopy images...... as a benchmark, we show that the position of the dopant atoms can be determined using atomic force microscopy. Specifically, the frequency shift-distance curves Delta f(z) acquired above a N atom are significantly different from the curves measured over a C atom. Similar behavior was found for N-doped graphene...

  18. A trapped atom interferometer with ultracold Sr atoms

    CERN Document Server

    Zhang, Xian; Mazzoni, Tommaso; Poli, Nicola; Tino, Guglielmo M

    2016-01-01

    We report on a trapped atom interferometer based on Bragg diffraction and Bloch oscillations with alkaline-earth-metal atoms. We use a Ramsey-Bord\\'e Bragg interferometer with $^{88}$Sr atoms combined with Bloch oscillations to extend the interferometer time. Thanks to a long coherence time for Bloch oscillations of $^{88}$Sr atoms, we observed interference up to 1 s evolution time in the lattice. A detailed study of decoherence sources during the Bloch phase is also presented. While still limited in sensitivity by lattice lifetime and beam inhomogeneity this result opens the way to high contrast trapped interferometers with extended interrogation time.

  19. Can atom-surface potential measurements test atomic structure models?

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2011-06-30

    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  20. Fine structure in a strong magnetic field: Paschen-Back effect reconsidered in Rydberg atoms

    Science.gov (United States)

    Liu, Wenyu; Gu, Sihong; Li, Baiwen

    1996-05-01

    Using a kind of potential model wave function for alkali metal atoms, we nonperturbatively study the effect of fine structure on the Rydberg spectra of Cs atom in a strong magnetic field. Our numerical results reveal spectral structure dramatically different from the well-established Paschen-Back effect, and we argue that the fine structure of the Rydberg Cs atom cannot be neglected even in a magnetic field as strong as several teslas. We also give an error estimate of our results and a word on possible experimental verification.

  1. Excitation Spectrum of Spin-1 Bosonic Atoms in an Optical Lattice with High Filling Factors

    Institute of Scientific and Technical Information of China (English)

    HOU Jing-Min

    2007-01-01

    The Green's function and the higher-order correlation functions of spin-1 cold atoms in an optical lattice are defined.Because we consider the problem of spin-1 Bose condensed atoms in an optical lattice with high filling factors,I.e.,the number density of Bose condensed atoms no is large,the fluctuation of them can be neglected and we take mean-field approximation for the higher-order terms.The excitation spectra for both the polar case and the ferromagnetic case are obtained and analyzed.

  2. Resonance fluorescence of a cold atom in a high-finesse resonator

    CERN Document Server

    Bienert, M; Torres, J M; Zippilli, S; Bienert, Marc; Morigi, Giovanna; Zippilli, Stefano

    2007-01-01

    We study the spectra of emission of a system composed by an atom, tightly confined inside a high-finesse resonator, when the atom is driven by a laser and is at steady state of the cooling dynamics induced by laser and cavity field. In general, the spectrum of resonance fluorescence and the spectrum at the cavity output contain complementary information about the dynamics undergone by the system. In certain parameter regimes, quantum interference effects between the scattering processes induced by cavity and laser field lead to the selective suppression of features of the resonance fluorescence spectrum, which are otherwise visible in the spectrum of laser-cooled atoms in free space.

  3. HIGH RESOLUTION OPTICAL AND NIR SPECTRA OF HBC 722

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeong-Eun; Park, Sunkyung [School of Space Research, Kyung Hee University, 1732 Deogyeong-daero, Giheung-gu, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of); Green, Joel D.; Cochran, William D. [Department of Astronomy, University of Texas at Austin, TX (United States); Kang, Wonseok; Lee, Sang-Gak [National Youth Space Center, 200 Deokheungyangjjok-gil, Dongil-myeon, Goheung-gun, Jeollanam-do 548-951 (Korea, Republic of); Sung, Hyun-Il, E-mail: jeongeun.lee@khu.ac.kr, E-mail: sunkyung@khu.ac.kr, E-mail: joel@astro.as.utexas.edu, E-mail: wdc@astro.as.utexas.edu, E-mail: wskang@kywa.or.kr, E-mail: sanggak@kywa.or.kr, E-mail: hisung@kasi.re.kr [Korea Astronomy and Space Science Institute, 776 Daedeok-daero, Yuseong-gu, Daejeon 305-348 (Korea, Republic of)

    2015-07-01

    We present the results of high resolution (R ≥ 30,000) optical and near-IR spectroscopic monitoring observations of HBC 722, a recent FU Orionis object that underwent an accretion burst in 2010. We observed HBC 722 in the optical/near-IR with the Bohyunsan Optical Echelle Spectrograph, Hobby–Eberly Telescope-HRS, and Immersion Grating Infrared Spectrograph, at various points in the outburst. We found atomic lines with strongly blueshifted absorption features or P Cygni profiles, both evidence of a wind driven by the accretion. Some lines show a broad double-peaked absorption feature, evidence of disk rotation. However, the wind-driven and disk-driven spectroscopic features are anti-correlated in time; the disk features became strong as the wind features disappeared. This anti-correlation might indicate that the rebuilding of the inner disk was interrupted by the wind pressure during the first 2 years. The half-width at half-depth of the double-peaked profiles decreases with wavelength, indicative of the Keplerian rotation; the optical spectra with the disk feature are fitted by a G5 template stellar spectrum convolved with a rotation velocity of 70 km s{sup −1} while the near-IR disk features are fitted by a K5 template stellar spectrum convolved with a rotation velocity of 50 km s{sup −1}. Therefore, the optical and near-IR spectra seem to trace the disk at 39 and 76 R{sub ⊙}, respectively. We fit a power-law temperature distribution in the disk, finding an index of 0.8, comparable to optically thick accretion disk models.

  4. Controlling Rydberg atom excitations in dense background gases

    CERN Document Server

    Liebisch, Tara Cubel; Engel, Felix; Nguyen, Huan; Balewski, Jonathan; Lochead, Graham; Böttcher, Fabian; Westphal, Karl M; Kleinbach, Kathrin S; Schmid, Thomas; Gaj, Anita; Löw, Robert; Hofferberth, Sebastian; Pfau, Tilman; Pérez-Ríos, Jesús; Greene, Chris H

    2016-01-01

    We discuss the density shift and broadening of Rydberg spectra measured in cold, dense atom clouds in the context of Rydberg atom spectroscopy done at room temperature, dating back to the experiments of Amaldi and Segr\\`e in 1934. We discuss the theory first developed in 1934 by Fermi to model the mean-field density shift and subsequent developments of the theoretical understanding since then. In particular, we present a model whereby the density shift is calculated using a microscopic model in which the configurations of the perturber atoms within the Rydberg orbit are considered. We present spectroscopic measurements of a Rydberg atom, taken in a Bose-Einstein condensate (BEC) and thermal clouds with densities varying from $5\\times10^{14}\\textrm{cm}^{-3}$ to $9\\times10^{12}\\textrm{cm}^{-3}$. The density shift measured via the spectrum's center of gravity is compared with the mean-field energy shift expected for the effective atom cloud density determined via a time of flight image. Lastly, we present calcul...

  5. Absorption spectrum of very low pressure atomic hydrogen

    CERN Document Server

    Moret-Bailly, Jacques

    2015-01-01

    Spectra of quasars result primarily from interactions of natural light with atomic hydrogen. A visible absorption of a sharp and saturated spectral line in a gas requires a low pressure, so a long path without blushing as a cosmological redshift. Burbidge and Karlsson observed that redshifts of quasars result from fundamental redshifts, written 3K and 4K, that cause a shift of absorbed beta and gamma lines of H to alpha gas line. Thus absorbed spectrum is shifted until an absorbed line overlaps with Lyman alpha line of gas: redshift only occurs if an alpha absorption pumps atoms to 2P state. Thus, space is divided into spherical shells centered on the quasar, containing or not 2P atoms. Neglecting collisional de-excitations in absorbing shells, more and more atoms are excited until amplification of a beam having a long path in a shell, thus perpendicular to the observed ray, is large enough for a superradiant flash at alpha frequency. Energy is provided by atoms and observed ray, absorbing a line at local Lym...

  6. Optical nanofibres and neutral atoms

    CERN Document Server

    Nieddu, Thomas; Chormaic, Sile Nic

    2015-01-01

    Optical nanofibres are increasingly being used in cold atom experiments due to their versatility and the clear advantages they have when developing all-fibred systems for quantum technologies. They provide researchers with a method of overcoming the Rayleigh range for achieving high intensities in a focussed beam over a relatively long distance, and can act as a noninvasive tool for probing cold atoms. In this review article, we will briefly introduce the theory of mode propagation in an ultrathin optical fibre and highlight some of the more significant theoretical and experimental progresses to date, including the early work on atom probing, manipulation and trapping, the study of atom-dielectric surface interactions, and the more recent observation of nanofibre-mediated nonlinear optics phenomena in atomic media. The functionality of optical nanofibres in relation to the realisation of atom-photon hybrid quantum systems is also becoming more evident as some of the earlier technical challenges are surpassed ...

  7. Crystal structure and luminescence spectra of Eu(DBM)3 4,4’-BIPY complex

    Institute of Scientific and Technical Information of China (English)

    王明昭; 金林培; 王哲民; 蔡冠梁; 张家骅

    1995-01-01

    The title complex,C55H41O6N2Eu,Mr=979.91,crystallizes in the monoclinic space group C2/cwith a=2.0413(4),b=2.5556(5),c=0.8926(3)nm,β=104.64(2)°,μ=14.44cm-1,T=295K and the finalR=0.043.The structure was solved by the heavy-atom method and refined by the full-matrix least-squarestechnique for 64 non-hydrogen atoms anisotropicaUy for 2180 reflections with I≥3σ(I).The title complexforms one-dimensional chains through C-C bonds between pyridine rings of 4,4’-bipyridine.The centralEu(Ⅲ)ion is coordinated to six oxygen atoms and two nitrogen atoms and its polyhedron is a distorted squareantiprism.The high resolution laser excited excitation and luminescence spectra show that the complex pos-sesses two Eu(Ⅲ)sites with the energy difference 39 cm-1of 5D0 levels in excited state.The radiationless energytransfer to a great extent between the two Eu(Ⅲ)sites and the dominant luminescence of Eu(Ⅲ)site withlower energy as the complex was excited have been supported by the selectively excited luminescence spectra,time-resolved luminescence spectra and selectively excited luminescence decay curves.

  8. Effects of local field and inherent strain in reflectance anisotropy spectra of A{sup III}B{sup V} semiconductors with naturally oxidized surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Berkovits, V. L.; Kosobukin, V. A.; Gordeeva, A. B. [Ioffe Physical Technical Institute of the Russian Academy of Sciences, 26 Politekhnicheskaya, 194021 Saint Petersburg (Russian Federation)

    2015-12-28

    Reflectance anisotropy (RA) spectra of naturally oxidized (001) surfaces of GaAs and InAs crystals are measured for photon energies from 1.5 up to 5.5 eV. The differential high-accuracy RA spectra reveal features substantially different from those caused by either a reconstruction of clean surface or a built-in near-surface electric field. Models of atomic structure with anisotropic transition layers of excess arsenic atoms specific for GaAs(001)/oxide and InAs(001)/oxide interfaces are proposed. In conformity with these models, a general theory of reflectance anisotropy is developed for semiconductor/oxide interfaces within the Green's function technique. The theory takes into account the combined effect of local field due to interface dipoles and of intrinsic near-surface strain of the crystal. Measured RA spectra are analyzed in the model of valence-bond dipoles occupying a rectangular lattice in a multilayer medium. Comparing the measured and calculated spectra, we conclude that RA spectra of oxidized GaAs(001) and InAs(001) surfaces are simultaneously influenced by interface and near-surface anisotropies. The former is responsible for the broad-band spectral features which are associated with polarizability of the valence bonds attached to As atoms at the crystal/oxide interface. The near-surface anisotropy is due to inherent uniaxial straining the near-surface region of crystal. The effect of strain on RA spectra is experimentally and theoretically substantiated for GaAs crystal wafers undergone a uniaxial applied stress. Basically, this work results in the following. It establishes the physical nature of different levels of RA spectra observed in a majority of papers, but never analyzed. It demonstrates how the studied features of RA spectra could be applied for optical characterization of strained interfaces and atomic layers.

  9. RAMAN-SPECTRA OF HUMAN DENTAL CALCULUS

    NARCIS (Netherlands)

    TSUDA, H; ARENDS, J

    1993-01-01

    Raman spectra of human dental calculus have been observed for the first time by use of micro-Raman spectroscopy. The spectral features of calculus were influenced easily by heating caused by laser irradiation. Therefore, the measurements were carried out at relatively low power (5 mW, 1-mu m spot si

  10. Mid-infrared spectra of comet nuclei

    CERN Document Server

    Kelley, Michael S P; Gehrz, Robert D; Reach, William T; Harker, David E

    2016-01-01

    Jovian Trojan D-type asteroids have mid-infrared emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 {\\mu}m thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis suggests the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74 to 0.83, are systematically lower than the Jupiter-family comet population mean of 1.03+/-0.11, derived from 16- and 22-{\\mu}m photometry. When the spectra are normalized by the NEATM model, a weak 10-{\\mu}m silicate plateau is evident, w...

  11. Fitting PAC spectra with a hybrid algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Alves, M. A., E-mail: mauro@sepn.org [Instituto de Aeronautica e Espaco (Brazil); Carbonari, A. W., E-mail: carbonar@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (Brazil)

    2008-01-15

    A hybrid algorithm (HA) that blends features of genetic algorithms (GA) and simulated annealing (SA) was implemented for simultaneous fits of perturbed angular correlation (PAC) spectra. The main characteristic of the HA is the incorporation of a selection criterion based on SA into the basic structure of GA. The results obtained with the HA compare favorably with fits performed with conventional methods.

  12. Analysis of COSIMA spectra: Bayesian approach

    Directory of Open Access Journals (Sweden)

    H. J. Lehto

    2015-06-01

    secondary ion mass spectrometer (TOF-SIMS spectra. The method is applied to the COmetary Secondary Ion Mass Analyzer (COSIMA TOF-SIMS mass spectra where the analysis can be broken into subgroups of lines close to integer mass values. The effects of the instrumental dead time are discussed in a new way. The method finds the joint probability density functions of measured line parameters (number of lines, and their widths, peak amplitudes, integrated amplitudes and positions. In the case of two or more lines, these distributions can take complex forms. The derived line parameters can be used to further calibrate the mass scaling of TOF-SIMS and to feed the results into other analysis methods such as multivariate analyses of spectra. We intend to use the method, first as a comprehensive tool to perform quantitative analysis of spectra, and second as a fast tool for studying interesting targets for obtaining additional TOF-SIMS measurements of the sample, a property unique to COSIMA. Finally, we point out that the Bayesian method can be thought of as a means to solve inverse problems but with forward calculations, only with no iterative corrections or other manipulation of the observed data.

  13. Variations on supersymmetry breaking and neutrino spectra

    Energy Technology Data Exchange (ETDEWEB)

    Borzumati, F.; Hamaguchi, K.; Nomura, Y.; Yanagida, T.

    2000-12-11

    The problem of generating light neutrinos within supersymmetric models is discussed. It is shown that the hierarchy of scales induced by supersymmetry breaking can give rise to suppression factors of the correct order of magnitude to produce experimentally allowed neutrino spectra.

  14. Automatic abundance analysis of high resolution spectra

    CERN Document Server

    Bonifacio, P; Bonifacio, Piercarlo; Caffau, Elisabetta

    2003-01-01

    We describe an automatic procedure for determining abundances from high resolution spectra. Such procedures are becoming increasingly important as large amounts of data are delivered from 8m telescopes and their high-multiplexing fiber facilities, such as FLAMES on ESO-VLT. The present procedure is specifically targeted for the analysis of spectra of giants in the Sgr dSph; however, the procedure may be, in principle, tailored to analyse stars of any type. Emphasis is placed on the algorithms and on the stability of the method; the external accuracy rests, ultimately, on the reliability of the theoretical models (model-atmospheres, synthetic spectra) used to interpret the data. Comparison of the results of the procedure with the results of a traditional analysis for 12 Sgr giants shows that abundances accurate at the level of 0.2 dex, comparable with that of traditional analysis of the same spectra, may be derived in a fast and efficient way. Such automatic procedures are not meant to replace the traditional ...

  15. Vibrational Spectra of a Mechanosensitive Channel

    NARCIS (Netherlands)

    Liang, Chungwen; Louhivuori, Martti; Marrink, Siewert J.; Jansen, Thomas L.C.; Knoester, Jasper

    2013-01-01

    We report the simulated vibrational spectra of a mechanosensitive membrane channel in different gating states. Our results show that while linear absorption is insensitive to structural differences, linear dichroism and sum-frequency generation spectroscopies are sensitive to the orientation of the

  16. Stability properties of wines by absorption spectra

    Science.gov (United States)

    Larena, A.; Vega, J.

    1986-03-01

    The temporal evolution of absorption spectra (370-700 nm) of different spanish wines has been studied by us under the influence of air presence, and the light exposition. In particular, we have exposed the wines to a magenta light. Nevertheless, the color coordinates of wine show a little relative variation (0.1-1 %)

  17. Hot NH3 Spectra for Astrophysical Applications

    CERN Document Server

    Hargreaves, R J; Bernath, P F

    2011-01-01

    We present line lists for ammonia (NH$_{3}$) at high temperatures obtained by recording Fourier transform infrared emission spectra. Calibrated line lists are presented for twelve temperatures (300 -- 1300$^{\\circ}$C in 100$^{\\circ}$C intervals and 1370$^{\\circ}$C) and each line list covers the 740 -- 2100 cm$^{-1}$ range, which includes the majority of the $\

  18. Measurement of an Electric Arc Spectra

    OpenAIRE

    Šimek, D.

    2015-01-01

    Article is focused on electric arc spectroscopy diagnostics related to electric low voltage apparatuses. The first attempts of spectroscopy measurements are dealt with. An example of radiation spectra of the electric arc burning between copper electrodes is presented. The problems connected with the measurements are discussed.

  19. Discriminating Dysarthria Type from Envelope Modulation Spectra

    Science.gov (United States)

    Liss, Julie M.; LeGendre, Sue; Lotto, Andrew J.

    2010-01-01

    Purpose: Previous research demonstrated the ability of temporally based rhythm metrics to distinguish among dysarthrias with different prosodic deficit profiles (J. M. Liss et al., 2009). The authors examined whether comparable results could be obtained by an automated analysis of speech envelope modulation spectra (EMS), which quantifies the…

  20. Solar Energetic Particle Spectra Measured with PAMELA

    Science.gov (United States)

    Ryan, James; Bruno, Alessandro; Boezio, Mirko; Bravar, Ulisse; Christian, Eric; Georgia, De Nolfo; Martucci, Matteo; Merge, Matteo; Munini, Riccardo; Sparvoli, Roberta; Stochaj, Steven; Pamela Collaboration

    2017-01-01

    We have measured the event integrated spectra from several SEP events from 2006 to 2014 in the energy range starting at 80 MeV and extending well above the neutron monitor threshold. The PAMELA instrument is in a high inclination, low Earth orbit and has access to SEPs when at high geographic latitudes. This means that the spectra have been assembled from regularly spaced measurements with gaps during the course of the event. Furthermore, the field of view of PAMELA is small and during the high latitude passes it scans a wide range of asymptotic directions as the spacecraft moves. Correcting for data gaps and solid angle effects, we have compiled event-integrated intensity spectra that typically exhibit power law shapes in energy with an exponential roll over. The events analyzed include two, maybe three, GLEs. In those cases the roll over energy lies above the neutron monitor threshold (1 GV) while the others are lower. We see no qualitative difference between the spectra of GLE vs. non-GLE events. National Science Foundation, NASA, Italian Space Agency, Russian Space Agency.

  1. Temporal Evolution of Solar Energetic Particle Spectra

    Science.gov (United States)

    Doran, Donald J.; Dalla, Silvia

    2016-08-01

    During solar flares and coronal mass ejections, Solar Energetic Particles (SEPs) may be released into the interplanetary medium and near-Earth locations. The energy spectra of SEP events at 1 AU are typically averaged over the entire event or studied in a few snapshots. In this article we analyze the time evolution of the energy spectra of four large selected SEP events using a large number of snapshots. We use a multi-spacecraft and multi-instrument approach for the observations, obtained over a wide SEP energy range. We find large differences in the spectra at the beginning of the events as measured by different instruments. We show that over time, a wave-like structure is observed traveling through the spectra from the highest energies to the lowest energies, creating an "arch" shape that then straightens into a power law later in the event, after times on the order of 10 hours. We discuss the processes that determine SEP intensities and their role in shaping the spectral time evolution.

  2. Polarization Spectra of Extrasolar Giant Planets

    NARCIS (Netherlands)

    Stam, D.M.

    2004-01-01

    We present simulated spectra of the flux and degree of polarization of starlight that is reflected by extrasolar giant planets (EGPs). In particular the polarization depends strongly on the structure of the planetary atmosphere, and appears to be a valuable tool for the characterization of EGPs.

  3. Isobaric-spin relationships between nuclear spectra

    NARCIS (Netherlands)

    French, J.B.

    1961-01-01

    The simple fact that a one-body energy describes the interaction of a nucleon with a closed neutron subshell is used to establish sets of equations connecting the spectra of nuclei which are related by isobaric-spin when described by means of the nuclear shell model. Certain formal questions about i

  4. Disk-averaged synthetic spectra of Mars

    CERN Document Server

    Tinetti, G; Fong, W; Meadows, V S; Snively, H; Velusamy, T; Crisp, David; Fong, William; Meadows, Victoria S.; Snively, Heather; Tinetti, Giovanna; Velusamy, Thangasamy

    2004-01-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and ESA Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earth-sized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of the planet Mars to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPF-C) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model which uses observational data as input to generate a database of spatially-resolved synthetic spectra for a range of illumination conditions (phase angles) and viewing geometries. Results presented here include disk averaged synthetic spectra, light-cur...

  5. Variational electrodynamics of Atoms

    CERN Document Server

    De Luca, Jayme

    2013-01-01

    We study extrema with velocity discontinuities for the variational electromagnetic two-body problem. Along $C^2$ segments, these broken extrema satisfy the Euler-Lagrange equations of the variational principle, which are neutral differential delay equations with state-dependent deviating arguments. At points where accelerations are not defined and velocities are discontinuous, broken extrema satisfy Weierstrass-Erdmann corner conditions that energies and momenta are continuous. Here we construct periodic broken extrema near the $C^{\\infty}$ two-body circular orbits, using piecewise-defined $C^2$ solutions of the neutral differential delay equations along regular segments and a variational approximation for the boundary-layer segments. Broken periodic extrema with an integer number of corner points bifurcate from a discrete set of circular orbits, with scales defined by the Weierstrass-Erdmann corner conditions. We consider the three cases of hydrogen, muonium and positronium atoms. In each case the broken ext...

  6. Einstein's Hydrogen Atom

    CERN Document Server

    Kim, Y S

    2011-01-01

    In 1905, Einstein formulated his special relativity for point particles. For those particles, his Lorentz covariance and energy-momentum relation are by now firmly established. How about the hydrogen atom? It is possible to perform Lorentz boosts on the proton assuming that it is a point particle. Then what happens to the electron orbit? The orbit could go through an elliptic deformation, but it is not possible to understand this problem without quantum mechanics, where the orbit is a standing wave leading to a localized probability distribution. Is this concept consistent with Einstein's Lorentz covariance? Dirac, Wigner, and Feynman contributed important building blocks for understanding this problem. The remaining problem is to assemble those blocks to construct a Lorentz-covariant picture of quantum bound states based on standing waves. It is shown possible to assemble those building blocks using harmonic oscillators.

  7. Atomic Basic Blocks

    Science.gov (United States)

    Scheler, Fabian; Mitzlaff, Martin; Schröder-Preikschat, Wolfgang

    Die Entscheidung, einen zeit- bzw. ereignisgesteuerten Ansatz für ein Echtzeitsystem zu verwenden, ist schwierig und sehr weitreichend. Weitreichend vor allem deshalb, weil diese beiden Ansätze mit äußerst unterschiedlichen Kontrollflussabstraktionen verknüpft sind, die eine spätere Migration zum anderen Paradigma sehr schwer oder gar unmöglich machen. Wir schlagen daher die Verwendung einer Zwischendarstellung vor, die unabhängig von der jeweils verwendeten Kontrollflussabstraktion ist. Für diesen Zweck verwenden wir auf Basisblöcken basierende Atomic Basic Blocks (ABB) und bauen darauf ein Werkzeug, den Real-Time Systems Compiler (RTSC) auf, der die Migration zwischen zeit- und ereignisgesteuerten Systemen unterstützt.

  8. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.;

    2000-01-01

    at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water....... The calculated VA and VCD spectra of this conformer are in better agreement with experimentally measured VA and VCD spectra previously reported. (C) 2000 Elsevier Science B.V. All rights reserved....

  9. Atomic transportation via carbon nanotubes.

    Science.gov (United States)

    Wang, Quan

    2009-01-01

    The transportation of helium atoms in a single-walled carbon nanotube is reported via molecular dynamics simulations. The efficiency of the atomic transportation is found to be dependent on the type of the applied loading and the loading rate as well as the temperature in the process. Simulations show the transportation is a result of the van der Waals force between the nanotube and the helium atoms through a kink propagation initiated in the nanotube.

  10. Nonlinear dynamics in atom optics

    Energy Technology Data Exchange (ETDEWEB)

    Chen Wenyu; Dyrting, S.; Milburn, G.J. [Queensland Univ., St. Lucia, QLD (Australia). Dept. of Physics

    1996-12-31

    In this paper theoretical work on classical and quantum nonlinear dynamics of cold atoms is reported. The basic concepts in nonlinear dynamics are reviewed and then applied to the motion of atoms in time-dependent standing waves and to the atomic bouncer. The quantum dynamics for the cases of regular and chaotic classical dynamics is described. The effect of spontaneous emission and external noise is also discussed. 104 refs., 1 tab., 21 figs.

  11. Inertial measurement using atom interferometry

    Institute of Scientific and Technical Information of China (English)

    JIA; Aiai; YANG; Jun; YAN; Shuhua; LUO; Yukun; HU; Qingqing; WEI; Chunhua; LI; Zehuan

    2015-01-01

    The recent advances of atom interferometer and its application in precision inertial measurement are review ed. The principle,characteristics and implementation of atom interferometer are introduced and it can be used to measure gravitational acceleration,gravity gradient and rotation for its high sensitivity. We also present the principle,structure and new progress of gravimeter,gravity gradiometer and gyroscope based on atom interferometer.

  12. Atomic laser-beam finder.

    Science.gov (United States)

    Viering, Kirsten; Medellin, David; Mo, Jianyong; Raizen, Mark G

    2012-11-05

    We report on an experimental method to align a laser beam to a cloud of atoms trapped in a magneto-optical trap (MOT). We show how balanced lock-in detection leads to a very sensitive method to align the laser beam to the atoms in the plane perpendicular to the propagation direction. This provides a very reliable and fast way of aligning laser beams to atoms trapped in a MOT.

  13. Ion-atom hybrid systems

    CERN Document Server

    Willitsch, Stefan

    2014-01-01

    The study of interactions between simultaneously trapped cold ions and atoms has emerged as a new research direction in recent years. The development of ion-atom hybrid experiments has paved the way for investigating elastic, inelastic and reactive collisions between these species at very low temperatures, for exploring new cooling mechanisms of ions by atoms and for implementing new hybrid quantum systems. The present lecture reviews experimental methods, recent results and upcoming developments in this emerging field.

  14. Mid-infrared spectra of comet nuclei

    Science.gov (United States)

    Kelley, Michael S. P.; Woodward, Charles E.; Gehrz, Robert D.; Reach, William T.; Harker, David E.

    2017-03-01

    Comet nuclei and D-type asteroids have several similarities at optical and near-IR wavelengths, including near-featureless red reflectance spectra, and low albedos. Mineral identifications based on these characteristics are fraught with degeneracies, although some general trends can be identified. In contrast, spectral emissivity features in the mid-infrared provide important compositional information that might not otherwise be achievable. Jovian Trojan D-type asteroids have emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 μm thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis reveals no evidence for a coma or tail at the time of observation, suggesting the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74-0.83, are systematically lower than the Jupiter-family comet population mean of 1.03 ± 0.11, derived from 16- and 22-μm photometry. We suggest this may be either an artifact of the spectral reduction, or the consequence of an emissivity low near 16 μm. When the spectra are normalized by the NEATM model, a weak 10-μm silicate plateau is evident, with a shape similar to those seen in mid-infrared spectra of D-type asteroids. A silicate plateau is also evident in previously published Spitzer spectra of the nucleus of comet 9P/Tempel 1. We compare, in detail, these comet nucleus emission features to those seen in spectra of the Jovian Trojan D-types (624) Hektor, (911) Agamemnon, and (1172) Aneas, as well

  15. NLTE Analysis of High Resolution H-band Spectra. I. Neutral Silicon

    CERN Document Server

    Zhang, Junbo; Pan, Kaike; Prieto, Carlos Allende; Liu, Chao

    2016-01-01

    We investigated the reliability of our silicon atomic model and the influence of non-local thermodynamical equilibrium (NLTE) on the formation of neutral silicon (Si I) lines in the near-infrared (near-IR) H-band. We derived the differential Si abundances for 13 sample stars with high-resolution H-band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE), as well as from optical spectra, both under local thermodynamical equilibrium (LTE) and NLTE conditions. We found that the differences between the Si abundances derived from the H-band and from optical lines for the same stars are less than 0.1 dex when the NLTE effects included, and that NLTE reduces the line-to-line scatter in the H-band spectra for most sample stars. These results suggest that our Si atomic model is appropriate for studying the formation of H-band Si lines. Our calculations show that the NLTE corrections of the Si I H-band lines are negative, i.e. the final Si abundances will be overestimated in LTE. The correc...

  16. Raman spectra of carotenoids in natural products

    Science.gov (United States)

    Withnall, Robert; Chowdhry, Babur Z.; Silver, Jack; Edwards, Howell G. M.; de Oliveira, Luiz F. C.

    2003-08-01

    Resonance Raman spectra of naturally occurring carotenoids have been obtained from nautilus, periwinkle ( Littorina littorea) and clam shells under 514.5 nm excitation and these spectra are compared with the resonance Raman spectra obtained in situ from tomatoes, carrots, red peppers and saffron. The tomatoes, carrots and red peppers gave rise to resonance Raman spectra exhibiting a ν1 band at ca. 1520 cm -1, in keeping with its assignment to carotenoids with ca. nine conjugated carboncarbon double bonds in their main chains, whereas the resonance Raman spectrum of saffron showed a ν1 band at 1537 cm -1 which can be assigned to crocetin, having seven conjugated carboncarbon double bonds. A correlation between ν1 wavenumber location and effective conjugated chain length has been used to interpret the data obtained from the shells, and the wavenumber position (1522 cm -1) of the ν1 band of the carotenoid in the orange clam shell suggests that it contains nine conjugated double bonds in the main chain. However, the black periwinkle and nautilus shells exhibit ν1 bands at 1504 and 1496 cm -1, respectively. On the basis of the correlation between ν1 wavenumber location and effective conjugated chain length, this indicates that they contain carotenoids with longer conjugated chains, the former having ca. 11 double bonds and the latter ca. 13 or even more. Raman spectra of the nautilus, periwinkle and clam shells also exhibited a strong band at 1085 cm -1 and a doublet with components at 701 and 705 cm -1, which can be assigned to biogenic calcium carbonate in the aragonite crystallographic form.

  17. Bloch oscillations in atom interferometry

    CERN Document Server

    Cladé, Pierre

    2014-01-01

    In Paris, we are using an atom interferometer to precisely measure the recoil velocity of an atom that absorbs a photon. In order to reach a high sensitivity, many recoils are transferred to atoms using the Bloch oscillations technique. In this lecture, I will present in details this technique and its application to high precision measurement. I will especially describe in details how this method allows us to perform an atom recoil measurement at the level of $1.3 \\times 10^{-9}$. This measurement is used in the most precise determination of the fine structure constant that is independent of quantum electrodynamics.

  18. Similarity of atoms in molecules

    Energy Technology Data Exchange (ETDEWEB)

    Cioslowski, J.; Nanayakkara, A. (Florida State Univ., Tallahassee, FL (United States))

    1993-12-01

    Similarity of atoms in molecules is quantitatively assessed with a measure that employs electron densities within respective atomic basins. This atomic similarity measure does not rely on arbitrary assumptions concerning basis functions or 'atomic orbitals', is relatively inexpensive to compute, and has straightforward interpretation. Inspection of similarities between pairs of carbon, hydrogen, and fluorine atoms in the CH[sub 4], CH[sub 3]F, CH[sub 2]F[sub 2], CHF[sub 3], CF[sub 4], C[sub 2]H[sub 2], C[sub 2]H[sub 4], and C[sub 2]H[sub 6] molecules, calculated at the MP2/6-311G[sup **] level of theory, reveals that the atomic similarity is greatly reduced by a change in the number or the character of ligands (i.e. the atoms with nuclei linked through bond paths to the nucleus of the atom in question). On the other hand, atoms with formally identical (i.e. having the same nuclei and numbers of ligands) ligands resemble each other to a large degree, with the similarity indices greater than 0.95 for hydrogens and 0.99 for non-hydrogens. 19 refs., 6 tabs.

  19. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.

    2012-02-01

    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  20. Discrimination of phytoplankton classes using characteristic spectra of 3D fluorescence spectra

    Science.gov (United States)

    Zhang, Qian-Qian; Lei, Shu-He; Wang, Xiu-Lin; Wang, Lei; Zhu, Chen-Jian

    2006-02-01

    The discrimination of phytoplankton classes using the characteristic fluorescence spectra extracted from three-dimensional fluorescence spectra was investigated. Single species cultures of 11 phytoplankton species, representing 5 major phytoplankton divisions, were used. The 3D fluorescence spectra of the cultures grown at different temperatures (20 and 15 °C) and illumination intensities (140, 80 and 30 μM m -2 s -1) were measured and their feature extraction methods were explored. Ordering Rayleigh and Raman scattering data as zero, the obtained excitation-emission matrices were processed by both singular value decomposition (SVD) and trilinear decomposition methods. The resulting first principal component can be regarded as the characteristic spectrum of the original 3D fluorescence spectrum. The analysis shows that such characteristic spectra have a discriminatory capability. At different temperatures, the characteristic spectra of Isochrysis galbana, Platymonas helgolanidica and Skeletonema costatuma have high degrees of similarity to their own species samples, while the spectra similarities of Alexandrium tamarense, Prorocentrum dentatum, Pseudo-nitzschia pungens, Chaetoceros curvisetus, Ch. Debilis, Ch. Didymus and Synechococcus sp. are not as significant as the other three species. C. curvisetus, Ch. Debilis and Ch. Didymus, belonging to genus Chaetoceros, have identical spectra and cannot be discriminated at all. Regarding all six diatom species as one class, the average discriminant error rate is below 9%. It is worth mentioning that the diatom class can be distinguished from A. tamarense and P. dentatum, which belong to Dinophyta.