Berlin 2015 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 94: Frontiers of Electronic Structure Theory: Many-body Effects on the Nano-scale

O 94.2: Hauptvortrag

Freitag, 20. März 2015, 10:00–10:30, H 0105

Towards optimal correlation factors for many-electron perturbation theories — •Andreas Grüneis — Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany — Universität Wien, Vienna, Austria

Many electron perturbation theories such as the coupled-cluster method form a hierarchy of increasingly accurate approximations to the electronic ground state wave function. This presentation will overview recent progress in applying coupled-cluster methods to solids and techniques to reduce their computational cost such as explicit correlation methods [1,2]. Furthermore applications to archetypal solid state systems as well as the uniform electron gas model system will be discussed [3].

[1] G. H. Booth, A. Grüneis, G. Kresse and A. Alavi, Nature 493, 365-370 (2013).

[2] A. Grüneis, J.J. Shepherd, A. Alavi, D.P. Tew, G.H. Booth, The Journal of chemical physics 139 (8), 084112 (2013).

[3] J.J. Shepherd, A. Grüneis, Physical Review Letters 110 (22), 226401 (2013).