Tuesday, March 6, 2018
11:15AM - 11:51AM
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F29.00001: Multiconfiguration Pair-Density Functional Theory for Excited-States in Molecules and Materials
Invited Speaker:
Laura Gagliardi
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Tuesday, March 6, 2018
11:51AM - 12:03PM
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F29.00002: Koopmans-compliant Spectral Functionals for Extended Systems
Nicola Marzari, Linh Ngoc Nguyen, Nicola Colonna, Andrea Ferretti
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Tuesday, March 6, 2018
12:03PM - 12:15PM
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F29.00003: A Unified Treatment of Single and Double Electronic Excitations and Corresponding Delocalization Lengths in pi-conjugated Materials
Christopher Sutton, Yang Yang, Du Zhang, Weitao Yang
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Tuesday, March 6, 2018
12:15PM - 12:27PM
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F29.00004: Multiple Exciton Generation in Chiral Single-Walled Carbon Nanotubes and Silicon Nanowires: DFT-Based Study Including Competition Between Carrier Multiplication and Phonon-Mediated Relaxation
Deyan Mihaylov, Andrei Kryjevski, Svetlana Kilina, Dimitri Kilin
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Tuesday, March 6, 2018
12:27PM - 12:39PM
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F29.00005: Excitonic DFT: An Efficient and Flexible Constrained DFT Approach for Simulating Neutral Excitations in Isolated and Periodic Systems
Subhayan Roychoudhury, Stefano Sanvito, David O'Regan
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Tuesday, March 6, 2018
12:39PM - 12:51PM
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F29.00006: Electron-Defect Scattering from First-Principles Calculations
I-Te Lu, Jin-Jian Zhou, Luis Agapito, Marco Bernardi
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Tuesday, March 6, 2018
12:51PM - 1:03PM
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F29.00007: Non-Radiative Recombination at Dynamic Shallow Level
Junhyeok Bang, Sheng Meng, Shengbai Zhang
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Tuesday, March 6, 2018
1:03PM - 1:15PM
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F29.00008: The Auger process from time dependent density matrix evolution in the GKBA
Fabio Covito, Enrico Perfetto, Gianluca Stefanucci, Angel Rubio
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Tuesday, March 6, 2018
1:15PM - 1:27PM
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F29.00009: Auger Recombination From First-principles in Group-III Nitride Alloys
Andrew McAllister, Dylan Bayerl, Christina Jones, Emmanouil Kioupakis
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Tuesday, March 6, 2018
1:27PM - 1:39PM
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F29.00010: Unconventional multiple plasmons generation in Oxygen-rich Strontium Niobate mediated by Local Field Effects
Tao Zhu, Paolo Trevisanutto, Teguh Asmara, Yuan Feng, Andrivo Rusydi
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Tuesday, March 6, 2018
1:39PM - 1:51PM
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F29.00011: Time-resolved X-ray Spectroscopy in One-dimensional Strongly Correlated Systems
Chen-Yen Lai, Jian-Xin Zhu
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Tuesday, March 6, 2018
1:51PM - 2:03PM
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F29.00012: Tackling Quantum Many-Body Problems in X-Ray Spectra via a Basic Graph Algorithm
Yufeng Liang, David Prendergast
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Tuesday, March 6, 2018
2:03PM - 2:15PM
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F29.00013: First Principles Simulations of ε-Ge/InxAl1-xAs Interfaces: Band Alignments and Interface Structure
Gabriel Greene-Diniz, Myrta Gruening
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