O 6: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - I
Monday, March 20, 2017, 10:30–13:00, GER 38
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10:30 |
O 6.1 |
DFT wants U: Embedded-cluster calculations of surface oxygen vacancies at TiO2 with Hubbard-corrected DFT — •Matthias Kick, Karsten Reuter, and Harald Oberhofer
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10:45 |
O 6.2 |
Hubbard interactions from density-functional perturbation theory — •Iurii Timrov, Matteo Cococcioni, and Nicola Marzari
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11:00 |
O 6.3 |
Time-evolution using full configuration interaction quantum Monte Carlo — •Kai Guther, Werner Dobrautz, Olle Gunnarsson, and Ali Alavi
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11:15 |
O 6.4 |
Laplace-transformed MP2 with localized Resolution of Identity for molecular and periodic systems — •Arvid Ihrig, Igor Ying Zhang, and Matthias Scheffler
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11:30 |
O 6.5 |
Bond Disproportionation in Rare-Earth Nickelates: Describing Lattice Distortions within DFT+DMFT — •Alexander Hampel and Claude Ederer
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11:45 |
O 6.6 |
Density matrix embedding theory for coupled fermion-boson systems — •Teresa E. Reinhard, Uliana Mordovina, Heiko Appel, Joshua S. Kretchmer, Garnet K. L. Chan, and Angel Rubio
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12:00 |
O 6.7 |
Vertex function of homogeneous electron gas — •Yaroslav Pavlyukh
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12:15 |
O 6.8 |
Coupled-Cluster approaches for molecules and solids in the numeric atom-center orbital framework — •Tonghao Shen, Igor Ying Zhang, and Matthias Scheffler
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12:30 |
O 6.9 |
Implementation of the SU(2) Symmetry in FCIQMC using the Graphical Unitary Group Approach — •Werner Dobrautz and Ali Alavi
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12:45 |
O 6.10 |
A study of the dense uniform electron gas with high orders of coupled cluster — •Verena Andrea Neufeld and Alex James William Thom
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