HL 99: Electronic structure theory
Thursday, April 3, 2014, 15:00–17:00, POT 151
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15:00 |
HL 99.1 |
Time-dependent density functional theory of magneto-optical response of periodic insulators — •Irina V. Lebedeva, Ilya V. Tokatly, and Angel Rubio
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15:15 |
HL 99.2 |
Predictive GW calculations with pseudopotentials and plane-waves — •Jiri Klimes and Georg Kresse
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15:30 |
HL 99.3 |
Eigenvalues from Density Functional Theory with exact exchange – chances and limitations — •Tobias Schmidt and Stephan Kümmel
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15:45 |
HL 99.4 |
Energy Curvature of Solids with Fractional Charge in DFT — •Vojtech Vlcek, Helen Eisenberg, Gerd Steinle-Neumann, Leeor Kronik, and Roi Baer
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16:00 |
HL 99.5 |
First-principles study of excitonic effects in Raman intensities — •Yannick Gillet, Matteo Giantomassi, and Xavier Gonze
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16:15 |
HL 99.6 |
Zero-point motion effect on the bandgap of diamond: validation of codes — •Samuel Poncé, Gabriel Antonius, Paul Boulanger, Elena Cannuccia, Andrea Marini, Michel Côté, and Xavier Gonze
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16:30 |
HL 99.7 |
Wavefunction localisation and acceptor ionisation in Ga1−xMnxAs, an electronic structure perspective — •Jerome Jackson and Gabriel Bester
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16:45 |
HL 99.8 |
Origin of electronic subgap states in amorphous semiconductor oxides on the example of In-Ga-Zn-O (IGZO) — Wolfgang Körner, •Daniel Urban, and Christian Elsässer
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