Sang-Kil Son

Learn More
X-ray free-electron lasers (FELs) are promising tools for structural determination of macromolecules via coherent x-ray scattering. During ultrashort and ultraintense x-ray pulses with an atomic-scale wavelength, samples are subject to radiation damage and possibly become highly ionized, which may influence the quality of x-ray scattering patterns. We(More)
Siddharth Bhardwaj,1,* Sang-Kil Son,2 Kyung-Han Hong,1 Chien-Jen Lai,1 Franz X. Kärtner,1,2,3 and Robin Santra2,3 1Department of Electrical Engineering and Computer Science and Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachsuetts 02139, USA 2Center for Free-Electron Laser Science, DESY,(More)
The multiwavelength anomalous diffraction (MAD) method is used to determine phase information in x-ray crystallography by employing anomalous scattering from heavy atoms. X-ray free-electron lasers (FELs) show promise for revealing the structure of single molecules or nanocrystals, but the phase problem remains largely unsolved. Because of the(More)
We investigate the possible reasons for the discrepancy between the theoretical two-photon ionization cross section, ∼10−56 cm4 s, of Ne8+ obtained within the perturbative nonrelativistic framework for monochromatic light [S. Novikov and A. Hopersky, J. Phys. B 34, 4857 (2001)] and the experimental value, 7 × 10−54 cm4 s, reported in [G. Doumy et al., Phys.(More)
Biological samples are highly radiation sensitive. The rapid progress of their radiation damage prevents accurate structure determination of single macromolecular assemblies in standard diffraction experiments. However, computer simulations of the damage formation have shown that the radiation tolerance might be extended at very high intensities with(More)
We introduce a new numerical grid-based method on unstructured grids in the three-dimensional real-space to investigate the electronic structure of polyatomic molecules. The Voronoi-cell finite difference (VFD) method realizes a discrete Laplacian operator based on Voronoi cells and their natural neighbors, featuring high adaptivity and simplicity. To(More)
The conformation dependences of basis set superposition errors (BSSE) for 1,2-difluoroethane (DFE) and 1,2dimethoxyethane (DME) molecules have been estimated using counterpoise method at the Möller-Plesset second order perturbation (MP2) level of theory with various basis sets, assuming that all BSSE dependences on conformations are due to the change in CC(More)
A hydrogen- and covalent-bonded 3D array, [Mn(bpe)(H(2)O)(4)](n)()(ClO(4))(2)(n)()(bpe)(4)(n)()(H(2)O)(2)(n)() (2) [bpe = 1,2-bis(4-pyridyl)ethane], a covalent-bonded 3D network, [Mn(bpe)(1.5)(H(2)O)(tp)](n)()(H(2)O)(n)() (3) [tp = terephthalate], and a covalent-bonded 2D sheet, [Mn(bpe)(N(3))(2)](n)() (4), have been synthesized and characterized by(More)
Sang-Kil Son (손상길), Robert Thiele, Zoltan Jurek, Beata Ziaja, and Robin Santra Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany The Hamburg Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg, Germany Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków, Poland(More)