Search Results - "Quiney, Harry M"

Reduced density matrix approach to ultracold few-fermion systems in one dimension by Knight, Mitchell J, Quiney, Harry M, Martin, Andy M

“…Abstract The variational determination of the two-fermion reduced density matrix (2-RDM) is described for harmonically trapped, ultracold few-fermion systems…”
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Signal‐to‐noise and spatial resolution in in‐line imaging. 1. Basic theory, numerical simulations and planar experimental images by Gureyev, Timur E., Paganin, David M., Quiney, Harry M.

“…Signal‐to‐noise ratio and spatial resolution are quantitatively analysed in the context of in‐line (propagation based) X‐ray phase‐contrast imaging. It is…”
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Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses by Nass, Karol, Gorel, Alexander, Abdullah, Malik M., V. Martin, Andrew, Kloos, Marco, Marinelli, Agostino, Aquila, Andrew, Barends, Thomas R. M., Decker, Franz-Josef, Bruce Doak, R., Foucar, Lutz, Hartmann, Elisabeth, Hilpert, Mario, Hunter, Mark S., Jurek, Zoltan, Koglin, Jason E., Kozlov, Alexander, Lutman, Alberto A., Kovacs, Gabriela Nass, Roome, Christopher M., Shoeman, Robert L., Santra, Robin, Quiney, Harry M., Ziaja, Beata, Boutet, Sébastien, Schlichting, Ilme

“…X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond the limitations imposed upon synchrotron measurements by radiation…”
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On noise-resolution uncertainty in quantum field theory by Gureyev, Timur E., Kozlov, Alexander, Nesterets, Yakov I., Paganin, David M., Quiney, Harry M.

“…An uncertainty inequality is presented that establishes a lower limit for the product of the variance of the time-averaged intensity of a mode of a quantized…”
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Hybrid Plasma/Molecular-Dynamics Approach for Efficient XFEL Radiation Damage Simulations by Kozlov, Alexander, Martin, Andrew V., Quiney, Harry M.

“…X-ray free-electron laser pulses initiate a complex series of changes to the electronic and nuclear structure of matter on femtosecond timescales. These damage…”
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X-ray Phase-Contrast Computed Tomography for Soft Tissue Imaging at the Imaging and Medical Beamline (IMBL) of the Australian Synchrotron by Arhatari, Benedicta D., Stevenson, Andrew W., Abbey, Brian, Nesterets, Yakov I., Maksimenko, Anton, Hall, Christopher J., Thompson, Darren, Mayo, Sheridan C., Fiala, Tom, Quiney, Harry M., Taba, Seyedamir T., Lewis, Sarah J., Brennan, Patrick C., Dimmock, Matthew, Häusermann, Daniel, Gureyev, Timur E.

“…The Imaging and Medical Beamline (IMBL) is a superconducting multipole wiggler-based beamline at the 3 GeV Australian Synchrotron operated by the Australian…”
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Recovery of undamaged electron-density maps in the presence of damage-induced partial coherence in single-particle imaging by Kozlov, Alexander, Gureyev, Timur E., Paganin, David M., Martin, Andrew V., Caleman, Carl, Quiney, Harry M.

“…Resolving the electronic structure of single biological molecules in their native state was among the primary motivations behind X-ray free-electron lasers…”
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Signal-to-noise, spatial resolution and information capacity of coherent diffraction imaging by Gureyev, Timur E, Kozlov, Alexander, Nesterets, Yakov I, Paganin, David M, Martin, Andrew V, Quiney, Harry M

“…It is shown that the average signal-to-noise ratio (SNR) in the three-dimensional electron-density distribution of a sample reconstructed by coherent…”
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Single-molecule imaging with longer X-ray laser pulses by Martin, Andrew V, Corso, Justine K, Caleman, Carl, Timneanu, Nicusor, Quiney, Harry M

“…During the last five years, serial femtosecond crystallography using X-ray laser pulses has been developed into a powerful technique for determining the atomic…”
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PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python by De Santis, Matteo, Storchi, Loriano, Belpassi, Leonardo, Quiney, Harry M, Tarantelli, Francesco

“…We present a real-time time-dependent four-component Dirac–Kohn–Sham (RT-TDDKS) implementation based on the BERTHA code. This new implementation takes…”
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Biomolecular imaging and electronic damage using X-ray free-electron lasers by Nugent, Keith A, Quiney, Harry M

“…The challenges involved in determining the structures of molecules to atomic resolution in non-crystalline samples using X-ray free-electron laser pulses are…”
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Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework by De Santis, Matteo, Rampino, Sergio, Quiney, Harry M, Belpassi, Leonardo, Storchi, Loriano

“…We have recently introduced a simple yet powerful tool for analyzing quantitatively the coordination bond in terms of the donation and back-donation…”
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X-ray laser-induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene by Abbey, Brian, Dilanian, Ruben A, Darmanin, Connie, Ryan, Rebecca A, Putkunz, Corey T, Martin, Andrew V, Wood, David, Streltsov, Victor, Jones, Michael W M, Gaffney, Naylyn, Hofmann, Felix, Williams, Garth J, Boutet, Sébastien, Messerschmidt, Marc, Seibert, M Marvin, Williams, Sophie, Curwood, Evan, Balaur, Eugeniu, Peele, Andrew G, Nugent, Keith A, Quiney, Harry M

“…X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a…”
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Young's double-slit interference with single hard X-ray photons by Gureyev, Timur E, Hall, Chris J, Arhatari, Benedicta, Pelliccia, Daniele, Aminzadeh, Alaleh, Pavlov, Konstantin M, Quiney, Harry M

“…Double-slit interference experiments using monochromatic hard X-rays with the energy of 25 keV are presented. The experiments were performed at a synchrotron…”
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Whole-pattern fitting technique in serial femtosecond nanocrystallography by Dilanian, Ruben A, Williams, Sophie R, Martin, Andrew V, Streltsov, Victor A, Quiney, Harry M

“…Serial femtosecond X-ray crystallography (SFX) has created new opportunities in the field of structural analysis of protein nanocrystals. The intensity and…”
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Unified fast reconstruction algorithm for conventional, phase-contrast, and diffraction tomography by Gureyev, Timur E, Brown, Hamish G, Quiney, Harry M, Allen, Leslie J

“…A unified method for three-dimensional reconstruction of objects from transmission images collected at multiple illumination directions is described. The…”
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The Electronic Structure of Alkali Aurides. A Four-Component Dirac−Kohn−Sham Study by Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M

“…Spectroscopic constants, including dissociation energies, harmonic and anharmonic vibrational frequencies, and dipole moments, are calculated for the complete…”
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Ptychographic X‐ray speckle tracking by Morgan, Andrew J., Quiney, Harry M., Bajt, Saša, Chapman, Henry N.

“…A method is presented for the measurement of the phase gradient of a wavefront by tracking the relative motion of speckles in projection holograms as a sample…”
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Noise-resolution uncertainty principle in classical and quantum systems by Gureyev, Timur E., Kozlov, Alexander, Paganin, David M., Nesterets, Yakov I., Quiney, Harry M.

“…We show that the width of an arbitrary function and the width of the distribution of its values cannot be made arbitrarily small simultaneously. In the case of…”
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Application of relativistic theories and quantum electrodynamics to chemical problems by Grant, Ian P., Quiney, Harry M.

“…The BERTHA program embodies a new formulation of relativistic molecular structure theory within the framework of relativistic quantum electrodynamics (QED)…”
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