Wednesday, March 20, 2013
8:00AM - 8:12AM
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M24.00001: Role of electronic localization in the phosphorescence of iridium sensitizing dyes
Burak Himmetoglu, Alex Marchenko, Ismaila Dabo, Matteo Cococcioni
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Wednesday, March 20, 2013
8:12AM - 8:24AM
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M24.00002: A Strategy for Finding a Reliable Starting Point for G$_0$W$_0$ Demonstrated for Molecules
Thomas Korzdorfer, Noa Marom
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Wednesday, March 20, 2013
8:24AM - 8:36AM
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M24.00003: A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough?
Noa Marom, Fabio Caruso, Xinguo Ren, Oliver Hofmann, Thomas K\"orzd\"orfer, James Chelikowsky, Angel Rubio, Matthias Scheffler, Patrick Rinke
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Wednesday, March 20, 2013
8:36AM - 8:48AM
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M24.00004: Local atomic energies from optimal atomic orbitals
Bj\"orn Lange, Christoph Freysoldt, J\"org Neugebauer
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Wednesday, March 20, 2013
8:48AM - 9:00AM
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M24.00005: Fast response function for finite and bulk systems
Peter Koval, Federico Marchesin, Daniel Sanchez Portal, Dietrich Foerster
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Wednesday, March 20, 2013
9:00AM - 9:12AM
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M24.00006: Density-Functional Theory Applied to Rare Earth Metals: Approaches Based on the Random-Phase Approximation
Marco Casadei, Xinguo Ren, Patrick Rinke, Matthias Scheffler, Angel Rubio
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Wednesday, March 20, 2013
9:12AM - 9:24AM
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M24.00007: Vibrational spectroscopy of liquid water from first principles simulations: Raman Spectra
Quan Wan, Leonardo Spanu, Giulia Galli, Francois Gygi
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Wednesday, March 20, 2013
9:24AM - 9:36AM
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M24.00008: The bond-breaking and bond-making puzzle: many-body perturbation versus density-functional theory
Fabio Caruso, Daniel Rohr, Maria Hellgren, Xinguo Ren, Patrick Rinke, Angel Rubio, Matthias Scheffler
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Wednesday, March 20, 2013
9:36AM - 9:48AM
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M24.00009: Structural and Electronic Properties of the Solvated Chloride Ion from First Principles Simulations
Francois Gygi, Cui Zhang, Tuan Anh Pham, Giulia Galli
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Wednesday, March 20, 2013
9:48AM - 10:00AM
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M24.00010: Ab initio calculations of quasiparticle energies of solids, liquids and molecules using a spectral decomposition of the dielectric matrix
Tuan Anh Pham, Huy-Viet Nguyen, Dario Rocca, Giulia Galli
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Wednesday, March 20, 2013
10:00AM - 10:12AM
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M24.00011: Structural Stability Driven by the Spin-Orbit Coupling and the Superconductivity in simple-cubic Polonium
Chang-Jong Kang, Kyoo Kim, B.I. Min
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Wednesday, March 20, 2013
10:12AM - 10:24AM
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M24.00012: Parallelized electronic transport calculations in real space
Baruch Feldman, Oded Hod, Tamar Seideman, Leeor Kronik
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Wednesday, March 20, 2013
10:24AM - 10:36AM
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M24.00013: Surface chemistry in a full-potential QM/MM approach: making hybrids affordable
Daniel Berger, Volker Blum, Karsten Reuter
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Wednesday, March 20, 2013
10:36AM - 10:48AM
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M24.00014: Spin-Orbit Coupling within the GW Approximation
Brad Barker, Jack Deslippe, Manish Jain, Johannes Lischner, Oleg Yazyev, Steven G. Louie
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Wednesday, March 20, 2013
10:48AM - 11:00AM
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M24.00015: Cumulant expansion treatment of phonon contributions to the electron spectral function
S.M. Story, J.J. Kas, M.J. Verstraete, J.J. Rehr
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