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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