SKM 2023 –
wissenschaftliches Programm
O 17: Focus Session: Frontiers of Electronic-Structure Theory II (joint session O/HL)
Montag, 27. März 2023, 15:00–17:15, TRE Ma
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15:00 |
O 17.1 |
Topical Talk:
Coupled-cluster theory for complex solids made ready — •Andreas Grüneis
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15:30 |
O 17.2 |
Speedup of structural optimisations using hybrid functionals: Case studies for energy materials — •Daniel Fritsch
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15:45 |
O 17.3 |
All-Electron Large-Scale Hybrid Density Functional Simulations — Florian Merz, Andreas Marek, •Sebastian Kokott, Christian Carbogno, Yi Yao, Mariana Rossi, Markus Rampp, Matthias Scheffler, and Volker Blum
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16:00 |
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15 min. break
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16:15 |
O 17.4 |
A Koopman's compliant exchange correlation potential for semiconductors — •Michael Lorke, Peter Deak, and Thomas Frauenheim
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16:30 |
O 17.5 |
Accurate and efficient treatment of spin-orbit coupling via second variation employing local orbital basis functions — •Hannah Kleine, Andris Gulans, Sven Lubeck, Cecilia Vona, and Claudia Draxl
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16:45 |
O 17.6 |
Exact sum-rule approach to polarizability and asymptotic van der Waals functionals -- derivation of exact benchmarks — •Alberto Ambrosetti, John Dobson, Matteo Ricci, and Pier Luigi Silvestrelli
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17:00 |
O 17.7 |
The contribution has been withdrawn.
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