Thursday, March 1, 2012
11:15AM - 11:51AM
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W35.00001: Watching excitons move: the time-dependent transition density matrix
Invited Speaker:
Carsten Ullrich
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Thursday, March 1, 2012
11:51AM - 12:03PM
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W35.00002: A minimal TDDFT model for excitons
Yonghui Li, Zenghui Yang, Carsten Ullrich
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Thursday, March 1, 2012
12:03PM - 12:15PM
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W35.00003: Nonlinear ultrafast optical response in organic molecular crystals
Talat S. Rahman, Volodymyr Turkowski, Michael N. Leuenberger
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Thursday, March 1, 2012
12:15PM - 12:27PM
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W35.00004: Electronic and dielectric properties of organic photovoltaic compounds from first principles
Ismaila Dabo, Andrea Ferretti, Cheol-Hwan Park, Nicolas Poilvert, Matteo Cococcioni, Nicola Marzari
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Thursday, March 1, 2012
12:27PM - 12:39PM
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W35.00005: Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density functional theory
Maria Hellgren, E.K.U. Gross
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Thursday, March 1, 2012
12:39PM - 12:51PM
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W35.00006: Density Functional Resonance Theory: The Complex Density Function, Orbital Energies and Lifetimes, and Results for Simple Systems
Daniel Whitenack, Adam Wasserman
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Thursday, March 1, 2012
12:51PM - 1:03PM
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W35.00007: Meta-GGA-based adiabatic time-dependent density-functional theory
Vladimir Nazarov, Giovanni Vignale
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Thursday, March 1, 2012
1:03PM - 1:15PM
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W35.00008: Describing electronic excitations using electron-hole density functional theory (eh-DFT)
Arindam Chakraborty
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Thursday, March 1, 2012
1:15PM - 1:27PM
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W35.00009: Applying state-of-the-art signal processing to time-dependent density functional theory
Jacob Sanders, Xavier Andrade, Alan Aspuru-Guzik
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Thursday, March 1, 2012
1:27PM - 1:39PM
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W35.00010: Density Functional Theory Investigation of Tunable Surface Composition of CdS Quantum Dots
Oleg Prezhdo, Amanda Neukirch, Jeremy Young, Helen Wei, Christopher Evens, Todd Krauss
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Thursday, March 1, 2012
1:39PM - 1:51PM
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W35.00011: First-Principles Approach to Chemical Raman Enhancement of Organic Adsorbates on Metal Surfaces
Alexey Zayak, Hyuck Choo, Ying S. Hu, Daniel Gargas, Stefano Cabrini, Jeffrey Bokor, P. James Schuck, Jeffrey B. Neaton
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Thursday, March 1, 2012
1:51PM - 2:03PM
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W35.00012: Electron-Hole Pairs during Adsorption Dynamics of O$_2$ on Pd(100) -- Exciting or not?
Joerg Meyer, Karsten Reuter
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Thursday, March 1, 2012
2:03PM - 2:15PM
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W35.00013: Self-consistent GW calculations with basis of dominant products
Peter Koval, Dietrich Foerster, Daniel Sanchez Portal
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