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HL 67: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions V (joint session O/CPP/DS/HL)
Donnerstag, 19. März 2020, 15:00–17:30, GER 38
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15:00 |
HL 67.1 |
Hauptvortrag:
Huge quantum effects on the 250 K superconducting lanthanum hydride — •Ion Errea
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15:30 |
HL 67.2 |
Self-Interaction Corrected SCAN for Solids: All-Electron Implementation with Numeric Atom-Centered Basis Functions — •Sheng Bi, Igor Ying Zhang, Christian Carbogno, and Matthias Scheffler
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15:45 |
HL 67.3 |
Understanding the lattice dynamics of 3D hexagonal boron nitride (h-BN): beyond the LDA approach — •Luigi Cigarini, Michal Novotný, and František Karlický
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16:00 |
HL 67.4 |
Error Estimation of Energy-per-Atom of Semiconductor Compounds Using Statistical Learning — •Daniel T. Speckhard, Sven Lubeck, Christian Carbogno, Luca Ghiringhelli, Claudia Draxl, and Matthias Scheffler
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16:15 |
HL 67.5 |
Force balance approach for advanced approximations in density functional theories — •Mary Leena Tchenkoue, Markus Penz, Iris Theophilou, Michael Ruggenthaler, and Angel Rubio
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16:30 |
HL 67.6 |
Combining embedded mean field theory with linear-scaling density functional theory — •Joseph Prentice, Robert Charlton, Arash Mostofi, and Peter Haynes
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16:45 |
HL 67.7 |
Topological semimetallic phase in PbO2 promoted by temperature — •Bo Peng, Ivona Bravić, Judith L. MacManus-Driscoll, and Bartomeu Monserrat
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17:00 |
HL 67.8 |
How Electric Fields Affect Intermolecular van der Waals Interactions — •Mohammad Reza Karimpour, Dmitry Fedorov, and Alexandre Tkatchenko
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17:15 |
HL 67.9 |
Electronic structure of β-SiAlON: effect of Al/O doping and of finite temperature — •Saleem Ayaz Khan, Ondrej Šipr, Jiří Vackář, Robin Niklaus, Wolfgang Schnick, and Jan Minár
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