Atomic and Molecular Physics
and
Quantum Chemistry
meeting of the 15th AIP Congress
Sydney, New South Wales
Monday 8 - Thursday 11 July, 2002
Program coordinators: Julian Lower and Igor Bray


The folowing links are to accepted abstracts for talks and posters.

Wed. 10th of July, 10.00-10:30, Plenary speaker: Prof. Phil Burke FRS, Queen's University of Belfast, UK
 Atomic Collisions: Applications, Advances and Challenges
        The quantum theory of atomic collisions was initiated nearly seventy years ago by Mott and Massey who laid the foundations of this subject in their classic textbook on the theory of atomic collisions [1]. In recent years there has been an enormous growth in this subject, which includes collisions between atoms, ions, molecules, electrons, positrons, muons and photons. This growth has been stimulated by many applications particularly in astronomy, planetary atmospheres including the earth's upper atmosphere, laser physics, plasma physics, surface physics and recently Bose-Einstein condensates. On the experimental side this growth has been made possible by recent advances in coincidence techniques, polarized beams and targets, high resolution particle beams and very high intensity laser beams. On the theoretical side many new developments have been stimulated by the rapidly increasing availability and power of high performance computers which are enabling new theoretical models to be evaluated and detailed predictions to be made for the first time [2]. In this talk a brief overview of some of the many applications of atomic collisions will first be given. Recent theoretical advances and predictions will then be reviewed and comparisons made where possible with the latest experiments. Finally, some of the outstanding challenges in atomic collisions will be discussed.
[1] N.F. Mott and H.S.W. Massey, The Theory of Atomic Collisions, First Edition (Oxford University Press, 1933).
[2] Atomic, Molecular and Optical Physics Handbook Editor G.W.F. Drake (American Institute of Physics, New York, 1996).

Abstracts for oral presentation:
    Tuesday 9th of July, 8:25, Opening, Igor Bray
  1. Tuesday 9th of July, 8:30 Parity and time invariance violation in mercury
    V. A. Dzuba, V. V. Flambaum, J. S. M. Ginges and M. G. Kozlov
    School of Physics, University of New South Wales and Petersburg Nuclear Physics Institute, Russia
            In a recent experiment, a stringent upper limit was placed on the atomic electric dipole moment (EDM) of 199Hg [1] corresponding to the best limit on an atomic EDM to date. This limit can be interpreted in terms of a limit on a parity- and time-invariance violating (P,T-odd) nuclear electric moment, the Schiff moment. This moment can arise in the nucleus due to an intrinsic EDM of an unpaired nucleon or a P,T-odd interaction between nucleons. In previous calculations the electrostatic potential of the Schiff moment was expressed in a singular form which must be treated carefully to avoid divergences in the electronic matrix elements. We have shown that the electric field distribution inside the nucleus arising from the Schiff moment is constant and directed along the nuclear spin. This allows us to express the Schiff moment in a form more convenient for numerical relativistic atomic calculations. We have calculated the atomic EDM induced in Hg due to the Schiff moment (for which no direct calculation has previously been performed) and have placed new limits on the fundamental P,T-odd parameters. These limits strongly constrain competing theories of CP-violation.
    [1] M.V. Romalis, W.C. Griffith, J.P. Jacobs, and E.N. Fortson, Phys. Rev. Lett. 12, 2505 (2001).
  2. Tuesday 9th of July, 9:00 Laboratory search for variation of fundamental constants
    Savely G. Karshenboim
    D. I. Mendeleev Institute for Metrology, 198005 St. Petersburg, Russia and Max-Planck-Institut fuer Quantenoptik, 85748 Garching, Germany
            A possible variation of values of some fundamental physical constants was suggested long time ago. No reasonable common model to describe such a variation has been discussed up-to-date. Recent attempts to detect some variations have led to limitations for fractional variation of some constants on level of 10-3-10-5 during the lifetime of our Universe.
           Several possible options for the search for the possible variation are considered in the talk and a short overview of the results obtained with several methods is given. Their advantages and disadvantages are discussed with respect to simultaneous variations of all constants in both time and space in range 108-1010 yr. A few possibilities for the laboratory search are suggested [1]. In particular, we propose some experiments with the hyperfine structure interval in atomic hydrogen, deuterium, ytterbium-171, rubidium and in some atoms with small nuclear magnetic moments. Since most of precisely measured frequencies are due to hyperfine structure transitions we pay special attention to interpretation of such measurements in terms of variation of fundamental constants. We also discuss advantages of precision optical measurements in respect to microwave ones [1,2].
    1. S. G. Karshenboim, Can. J. Phys. 78, 639 (2000).
    2. S. G. Karshenboim, In Laser Physics at the Limits, ed. by H. Figger, D. Meschede and C. Zimmermann (Springer-Verlag, Berlin, Heidelberg, 2001) p. 165.
  3. Tuesday 9th of July, 9:30 Highly Charged Ions: a miniature laboratory for new fundamental science
    J. D. Gillaspy
    National Institute of Standards and Technology, Gaithersburg, MD 20899-8421, USA
            Highly charged ions are 10-100 times smaller than ordinary atoms, yet they present within themselves a remarkably rich arena for testing fundamental aspects of physics. These tests are based on a precise analysis of the energy distribution of the photons that are emitted as electrons hop between energy levels within the highly charged ions. With sufficiently precise analysis, it may be possible to obtain new information about the structure of the vacuum, the effect of special relativity on many-body correlation, physics beyond the Standard Model, and the fundamental nature of quantum measurements. This talk will review the current state-of-the-art in the spectroscopy of highly charged ions, and give a look towards the future.
  4. Tuesday 9th of July, 10:00 Recent developments in X-ray tests of QED
    C. T. Chantler
    University of Melbourne, Parkville Victoria 3010
            Experimental tests of QED have developed dramatically for simple systems of hydrogen and helium, but there has also been significant progress for medium-Z hydrogenic and helium-like atoms over the last few years. In this area the tests are often based on X-ray spectroscopic measurements, and here we review some of the key developments. Of particular interest is the status of tests of two-electron QED and of np subshell and excited state QED. We discuss some secondary tests of the data to confirm the quality, and progress on the dominant systematics in this area.
    10:30 End of AMQC sessions for the day, coffee break
    Chair: Julian Lower
  5. Wednesday 10th of July, 14:00 (e,2e) experiments on water
    S. J. Cavanagh, D. Milne-Brownlie, M. Schneiter, B. Lohmann
    School of Science, Griffith University Kessels Rd., Nathan, Queensland
             The electron-electron coincidence (or (e,2e)) technique yields complete kinematical information on electron impact ionization processes. It has been widely used to study dynamical effects in ionizing collisions with atomic targets. Studies of molecular ionization using this technique have been very limited, due in part to the lack of suitable theoretical approaches for modelling this process. Very recently, new calculations have been published (Champion et al, Phys. Rev. A 63 052720) of the triple differential cross section for electron impact ionization of the outer orbitals of the water molecule, although no experimental data were available for comparison with theory. We present the first dynamical (e,2e) studies of the water molecule, and compare with the latest theoretical results.
  6. Wednesday 10th of July, 14:22 Analysis of TCNQ-TTF molecular diodes
    Xenogene Gray and Phil Lukins
    University of Sydney, Australia
            The research discussed in this paper has focused on obtaining and testing the electronic properties of individual TCNQ(tetracyanoquinodimethane), TTF(tetrahiafulvalene), and TCNQ-TTF complex molecules, using scanning tunnelling microscopy techniques, namely scanning tunnelling spectroscopy (STS) and standard STM imaging. TCNQ and TTF are both known molecular organic semiconductors; TTF molecules are known to be electron donors, and TCNQ molecules are known to be electron acceptors. Some preliminary current-voltage (I-V) graphs of the mixed complex have been obtained showing that there is a clear asymmetry in the molecular I-V curves. This suggests these complexes act as molecular diodes.
  7. Wednesday 10th of July, 14:44 New Method to Build a Sapphire Probe Oscillator for Atomic Frequency Standards
    Michael E. Tobar, Gemma Hamilton, Eugene N. Ivanov, John G. Hartnett
    Frequency Standards and Metrology research group, Department of Physics, University of Western Australia, 35 Stirling Hwy, Crawley, WA, 6009, Australia
            For a classical oscillator to operate as a precise probe oscillator for an atomic clock, the resonator must have a narrow line width and small temperature coefficient of frequency. The best classical osccillators are based on high-Q sapphire monocrystals cooled to 4 K. At this temperature the Temperature Coefficient of Permittivity (TCP) is balanced by the temperature dependence of residual paramagnetic ions in the sapphire lattice. To extrapolate this technique to higher temperatures, larger levels of concentration are required, which degrades the Q-factor significantly. A new method to obtain temperature compensation in high quality anisotropic dielectric resonators is presented (patent pending). The method relies on the fact that differently polarised (TE and TM) modes exhibit different fractional Temperature Coefficients of Frequency (TCF) in units K-1. Thus, in principle one may design a resonator with a TE and TM mode at a different frequency, but with the same TCF in units Hz/K. This will result in temperature compensation of the difference frequency. Standard dual mode techniques[1] may then be implemented to create a temperature compensated oscillator based on the difference frequency of the modes. The principle was verified using Whispering Gallery modes in a solid nitrogen cooled cavity. Typically compensation in the beat frequency was measured from 50 to 60 K at a frequency of 3-4 GHz. Our analysis suggest that this technique is capable of generating a frequency with 1 part in 1015 stability for measurement times of order 1 second. This is sufficient to operate an atomic frequency standard at the quantum limit.
    [1] M. E. Tobar, E. N. Ivanov, J. G. Hartnett, and C. R. Locke, "Novel temperature control of a sapphire loaded cavity oscillator from the difference frequency of WGE and WGH modes", in Proc. 2001 IEEE Int. Freq. Contr. Symp., 2001.
  8. Wednesday 10th of July, 15:06 Electron-impact excitation in upper-atmosphere remote sensing
    Laurence Campbell1, Michael J Brunger1, Peter J O Teubner1 and David C Cartwright2
    1School of Chemistry, Physics and Earth Sciences, Flinders University of South Australia
    2Theoretical Division, Los Alamos National Lab, Los Alamos, New Mexico
            Electron-impact excitation plays a major role in emission from aurora and a minor role in the dayglow and nightglow. For some molecules, such as nitrogen and nitric oxide, electron-impact excitation can be followed by a radiative cascade through many different sets of energy levels, producing emission spectra with a large number of lines. We are investigating whether parts of this rich spectrum can be exploited for remote sensing of the atmosphere.
            We report on the ongoing development of a computer program which predicts the emission spectrum for nitrogen and nitric oxide in aurora and the ionosphere. This program includes the necessary atomic and molecular data such as electron-impact cross sections, Franck Condon factors, energy levels, transition probabilities, quenching rates and predissociation rates, as well as atmospheric data. The program performs a statistical equilibrium calculation to predict the spectrum of the radiation resulting from electron-impact excitation.
            We present sample results from this program and compare them against available measurements. The prospects for remote sensing by measurement of the spectrum of radiation resulting from electron-impact excitation are assessed.
    15:30 Afternoon Tea
    Chair: Igor Bray
  9. Wednesday 10th of July, 17:00 Characterisation of a Metastable Neon Magneto-Optical-Trap
    J.P. Ashmore, K. Matherson, R.T Sang, W.R. MacGillivray, and M.C. Standage
    Centre for Quantum Dynamics School of Science, Griffith University Nathan Campus, Nathan QLD, Australia 4111
            In this paper we will present the current status of our metastable neon magneto-optical trapping experiment. Our trap utilizes an end on, zero spot technique whereby a Zeeman slower is used to ensure that the atoms remain in resonance as they are slowed by a counter-propagating red detuned laser beam. The trapping region is created from three pairs of orthogonal counter-propagating laser beams whose intersection lays at the zero point of a magnetic field. From this zero point at the centre of the trap, the magnetic field varies approximately linearly as a function of distance, over the intersecting laser beam region. A number of optimization experiments have been performed on the trap indicating the trap dependence on parameters such as both the slowing and trapping laser beam powers and frequency detunings. Trap expansion dynamics have been analysed indicating the temperature of the trapped atomic sample. CCD camera images and absolute fluorescence measurements from a photodiode have provided estimates of the trap size and density.
            The first experiments intended for the trapped metastable neon is to perform photoionization cross-section measurements. Such experiments in the past have been impossible to perform on metastable atoms due to the limited flux created within a metastable atomic beam. The technique, which was developed by Dineen et. al., has to date only been applied to the alkali metals [1,2]. The cross-sections are deduced by observing the filling dynamics of the trap via the detection of decay fluorescence from excited state atoms.
    [1] T.P. Dineen, C.D. Wallace, K.N. Tan, P.L. Gould, Optics Lett., 17, 1706, 1992.
    [2] C.Gabbanini, S. Gozzini, A. Lucchesini, Opt. Commun. 141 25, 1997.
  10. Wednesday 10th of July, 17:22 Low Energy Electron Impact Ionization of Krypton
    Matthew A. Haynes and Birgit Lohmann
    School of Science, Griffith University, Nathan, Queensland AUSTRALIA 4111
            The vast majority of low energy triple differential cross section (TDCS) measurements performed to date have focussed on hydrogen and helium as targets. For these measurements the distorted wave Born approximation (DWBA) and the convergent close coupling approximation (CCC) are generally in good agreement with the observed experimental results. Recent measurements performed in both coplanar symmetric and asymmetric kinematics on heavier rare gas atoms have generally shown a poor agreement with the DWBA calculation. The observed disagreement has been attributed to effects such as post-collision interaction, polarization and electron exchange. Several methods to include these effects into the DWBA calculations have been attempted with a limited degree of success for the heavier atoms.
            Our recent experimental results for electron impact ionization of the inner valence shell of krypton performed at low to intermediate incident energies will be presented. Comparison will be made with the latest available theoretical calculations.
  11. Wednesday 10th of July, 17:44 Asymmetry of Polarized Electrons Scattered Elastically from Krypton
    M. R. Went1, R. P. McEachran2, Birgit Lohmann1 and W. R. MacGillivray1
    1School of Science, Griffith University, Nathan, Queensland, AUSTRALIA
    2Research School of Physical Sciences and Engineering, Australian National University, A. C. T. , AUSTRALIA 0200
            Scattering of spin polarized electrons from atoms provides a direct probe of different spin-dependent interactions. One spin dependent observable is the left-right asymmetry in the scattering of spin up or down electrons by the target. For elastic scattering from closed-shell atoms such as the noble gases, such an asymmetry can only arise from spin-orbit interaction of the projectile electron in the field of the target. The principle of the asymmetry measurement can be demonstrated as follows. Consider a beam of electrons with spin polarization P incident on a noble gas target, with the electron spin being perpendicular to the scattering plane. Measurement of the difference in the number of electrons, N, elastically scattered at equal angles to the right and left of 0° yields the asymmetry A such that
    A = (NL-NR)/(NL+NR) = SAP.
    SA is called the asymmetry function, and for elastic scattering is equal to the Sherman function, S. The identical information may be obtained by measuring the difference in the number of electrons elastically scattered at a given angle, for spin up and spin down orientations of the incoming electrons.
            The apparatus used for the experimental measurements comprises a source of polarized electrons, a scattering chamber and a Mott detector. Two calculations have been performed by direct numerical solution of the Dirac equation with the addition of a non-relativistic polarized-orbital polarization potential1, and with the further inclusion of an absorption potential2.
            Experimental and theoretical results for the Sherman function for elastic scattering of spin-polarized electrons from krypton will be presented at the conference.
    1. R. P. McEachran and A. D. Stauffer, J. Phys. B 20, 5517 (1987).
    2. A. Dorn, A. Ellisott, J. Lower, S. F. Mazevet, R. P. McEachran, I. E. McCarthy and E. Weigold, J. Phys. B 31, 547 (1998)
  12. Wednesday 10th of July, 18:06 Electron-helium scattering within the S-wave model
    Chris Plottke and Igor Bray
    Centre for Atomic, Molecular and Surface Physics, Murdoch University, Perth, WA
            There has been much progress in the solution of the three-body problem that is electron-impact excitation of atomic hydrogen. Hence, the next frontier in the field is the four-body problem of electron-impact excitation of helium. Interestingly, since the helium discrete spectrum contains only one-electron excitations, a frozen-core description of the target suffices for discrete excitation phenomena and ionisation leaving the helium ion in the ground state. However, ionisation processes may also leave the helium ion in an excited state, and double ionisation processes are also possible. To treat these the full four-body problem needs to be solved. We will report the first attempts to solve this problem non-perturbatively while restricting all orbital angular momenta to be zero, the socalled S-wave model.
    18:30 End of day
    Chair: Dr. Lower
  13. Thursday 11th of July, 14:30 Photo double excitation of helium in a strong DC electric field
    J. Sullivan* J. Harries*, J. Sternberg*, T. Suzuki*, S. Obara+, P. Hammond#, M. Halka$, N. Berrah&, T. Shintake% and Y. Azuma*
    *Photon factory, KEK, Tsukuba, Japan
    +Meisei University, Tokyo, Japan
    #University of Western Australia, Perth
    $Portland State University, Portland, Oregon, USA
    %Accelerator Division, KEK, Tsukuba, Japan
    &Western Michigan University, Kalamazoo MI, USA
            The study of doubly-excited states of helium has long been used as a sensitive test of the understanding of electron correlations. Synchrotron radiation provides a high resolution source of photons in the energy range required for excitation of these states, which is inaccessible using laser sources. To date, studies of the influence of a high electric field on the behaviour of doubly excited states have been limited, and a new apparatus has been constructed which allows fields of up to 90 kV/cm to be applied to the interaction region where the states are formed.
            Photons from beamline 10.0.1 at the Advanced Light Source, Berkeley, have been used to study doubly-excited autoionising states of helium in a high electric field. The states appear as resonances in the detected ion yield, metastable yield and photon decay spectra. Previous experiments at the Photon Factory, Japan, has shown the Stark shifting and mixing of the resonances observed in the ion yield spectrum. The evolution of the states as a function of the field strength was, however, quite different to that predicted by a recent theoretical calculation [1]. Application of novel techniques, taking advantage of the time structure of the synchrotron radiation, has allowed the separation of the photon decay and metastable yield channels. The doubly excited resonances have thus been able to be observed in 3 different decay channels, allowing further insight into the structure of these states.
    [1] Chung et al., J. Phys. B 34, 165 (2001)
  14. Thursday 11th of July, 15:00 X-ray Extended-Range Technique for Precision Measurement of the X-Ray Mass Attenuation Coefficient and IM(f) for SILICON Using Synchrotron Radiation
    C. Q. Tran, C. T. Chantler, Z. Barnea, D. Paterson, D. J. Cookson*
    School of Physics, University of Melbourne, Vic 3010, Australia
    *Chem-Mat-CARS-CAT (Sector 15, Bldg 434D), Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439
            Complex X-ray form factors are used in crystallography, material science, medical diagnosis refractive index studies and XAFS. We introduce the X-ray Extended-Range Technique for accurate measurements of the mass attenuation coefficient and the imaginary component of the atomic form factor. This new technique achieves accuracies of 0.3% for attenuation coefficients of silicon single crystals in the range from 5 keV to 20 keV. This compares to accuracies of order 10% using atomic vapours, and to discrepancies between measurements using earlier experimental techniques of order 10%. Discrepancies of order 5% between current theory and experiments can now be addressed. The new result challenges available theoretical calculations and suggesting that new methods of computation may be required to approach the precision and accuracy of the experimental data.
  15. Thursday 11th of July, 15:30 Photoluminescence in Conjugated Polymers
    J. E. Furst1, R. Laugesen2, P. Dastoor2, C. McNeill2
    1School of Applied Sciences and 2School of Mathematical and Physical Sciences, University of Newcastle, NSW
            Conjugated polymers combine the electronic and optical properties of semiconductors with the processibility of polymers. They contain a sequence of alternate single and double carbon bonds so that the overlap of unhybridised pz orbitals creates a delocalised p system which gives semi-conducting properties with p-bonding (valence) and p* -antibonding (conduction) bands. Photoluminesence (PL) in conjugated polymers results from the radiative decay of singlet excitons confined to a single chain.
            The present work is the first in a series of studies in our laboratory that will characterize the optical properties of conjugated polymers. The experiment involves the illumination of thin films of conjugated polymer with UV light (l=360 nm) and observing the subsequent fluorescence using a custom-built, fluorescence spectrometer. Photoluminesence spectra provide basic information about the structure of the polymer film. A typical spectrum is shown in the accompanying figure. The position of the first peak is related to the polymer chain length and resolved multiple vibronic peaks are an indication of film structure and morphology. We will also present results related to the optical degradation of these materials when exposed to air and UV light.
    16:00 end of AMPQC for 2002. Have 15 minutes for discussion of future AMPQC meetings

Abstracts for poster presentation on Thursday 11th of July, 13:30-14:30:
  1. Measuring positron scattering cross sections in a magnetic field
    J. Sullivan*, S. J. Gilbert, J. P. Marler, R. G. Greaves+, S. J. Buckman# and C. M. Surko
    Physics Dept., UCSD, La Jolla CA, USA
    *Present address: Photon Factory, KEK, Tsukuba Japan
    +Present address: First Point Scientific, Agoura Hills CA, USA
    #Present address: RSPhySE, ANU, Canberra ACT, Australia
            Until recently, low energy positron scattering has been limited in scope by the typically poor resolution of moderated positron sources (dE ~ 0.5 eV or greater). The advent of the buffer gas trapping technique has made available a positron source with an energy spread of 25 meV or better, tunable from 0.1 to 100 eV, promising to open up new areas of study low energy positron scattering [1,2]. The high resolution positron beam is formed in a magnetic field of 1.5 kG, which rules out a conventional electrostatic scattering experiment. New scattering techniques have been developed which take advantage of the properties of the magnetised positron beam, and allow a variety of scattering cross sections to be measured.
            This paper will present an overview of the buffer gas scattering technique, and describe the analysis techniques developed for measuring scattering cross sections in a magnetic field [3]. Techniques for measuring differential elastic, integral inelastic, grand total and total positronium cross sections will be explained. Examples of these measurements will also be given, and compared with existing theoretical calculations and electron scattering data. Future prospects for this type of measurement will be explored, including extension to electron scattering. A new positron trap will be described, which will use a 5T superconducting magnet and cryogenically cooled walls to trap and cool greater numbers of positrons at lower temperatures than previously possible. This will give access to even lower energy and higher resolution measurements than are currently possible.
            This research was performed at University of California, San Diego and supported by NSF and ONR. Steve Buckman would also like to acknowledge support from the Fulbright association.
    [1] Gilbert et al., Appl. Phys. Lett. 70 1944 (1997), Phys. Rev. Lett. 82 5032 (1999)
    [2] Sullivan et al., Phys. Rev. Lett., 86 1494 (2001), Phys. Rev. Lett. 87 073201 (2001)
    [3] Sullivan et al., Phys. Rev. A, submitted
  2. Positron interactions with one- and two-electron atoms
    M. W. J. Bromley and J. Mitroy
    Faculty of SITE, Northern Territory University, Darwin NT 0909, Australia
            The Configuration-Interaction method has been applied to the computational study of both the stability and structure of various positronic atoms and ions. Consequently, the bound states of PsH, e+Li, e+Be, e+Mg, e+Ca, e+Cu, CuPs, e+Zn, e+Sr and e+Cd have all been extensively studied. The CI method has also been used in conjunction with the Kohn Variational method to examine low-energy positron scattering and annihilation from both H and Cu.
  3. Breit interaction correction to the hyperfine constant of an external s-electron in many-electron atom
    O. P. Sushkov
    School of Physics, University of New South Wales, Sydney 2052, Australia
            Correction to the hyperfine constant A of an external s-electron in many-electron atom caused by the Breit interaction is calculated analytically: dA/A =0.68 Za2. Physical mechanism for this correction is polarization of the internal electronic shells (mainly 1s2 shell) by the magnetic field of the external electron. This mechanism is similar to the polarization of vacuum considered by Karplus and Klein long time ago. The similarity is the reason why in both cases (Dirac sea polarization and internal atomic shells polarization) the corrections have the same dependence on the nuclear charge and fine structure constant. In conclusion we also discuss Za2 corrections to the parity violation effects in atoms.
  4. Electronic relaxations followed by shake up and shake off processes near K threshold photo-ionisation of copper atom
    B. B. Dhal, M. de Jonge, C. Q. Tran, Z. Barnea and C. T. Chantler
    School of Physics, University of Melbourne, Parkville-3010, Victoria, Australia
            The photon-(isolated) atom interaction can be described quantum-mechanically. Further effects may result from a consideration of the relaxation channels available to the (excited) atom. Shake-up and shake off processes with the electronic structure must be considered as they may add to the transition probabilities and hence cross-sections significantly. Relaxations of excited electronic configurations with 1-s vacancies and with occupied 2p, 3s and higher sub-shells are a dominant channel for these processes when K-edge photo-ionisation occurs.
            We present results for the (non-isolated) copper atom near the K-edge obtained at Australian National Beamline Facility (ANBF) beamline 20B of photon factory at KEK, Tsukuba, Japan. Fluorescence intensities (as a function of photon energy) were measured in a multi-element solid-state detector. Centroid energy shifts and x-ray intensity ratios are attributed to various volatile electronic configurations near the K-threshold photo-ionisation energy. These result directly from higher shell shake-up and shake-off processes.
            The results of a computationally extensive Multi-Configuration Dirac-Fock (MCDF) calculation will be presented.

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