O 48: Focussed session: Theory and computation of electronic structure: new frontiers IV (jointly with HL, DS)
Wednesday, March 16, 2011, 15:00–17:00, TRE Phy
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15:00 |
O 48.1 |
Topical Talk:
Progress in diffusion quantum Monte Carlo calculations — •Richard Needs
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15:30 |
O 48.2 |
N3 implementation for molecules and clusters of Hedin’s GW scheme — •Dietrich Foerster, Peter Koval, and Daniel Sanchez-Portal
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15:45 |
O 48.3 |
Applications of a dominant product basis in many-body perturbation theory — •Peter Koval, Dietrich Foerster, and Daniel Sanchez-Portal
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16:00 |
O 48.4 |
Using Finite Element method to tackle the Hartree-Fock equations — •Amélie Fau and Denis Aubry
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16:15 |
O 48.5 |
Finite-basis correction applied to the optimized effective potential within the FLAPW method — •Christoph Friedrich, Markus Betzinger, and Stefan Blügel
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16:30 |
O 48.6 |
A conventional, massively parallel eigensolver for electronic structure theory1 — •V. Blum, M. Scheffler, R. Johanni, H. Lederer, Th. Auckenthaler, Th. Huckle, H.-J. Bungartz, L. Krämer, P. Willems, B. Lang, and V. Havu
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16:45 |
O 48.7 |
Accurate and efficient density-functional calculations for the electronic entropy — •Rudolf Zeller
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