The lord of the rings and ladders applied to solids and surfaces
Invited
Abstract
This presentation will review recent progress in applying periodic coupled cluster theories to the study of surfaces and solids. We will discuss methods that reduce the computational cost and accelerate convergence of calculated properties towards the complete basis set as well as thermodynamic limit. These recent developments have enabled an increasing number of ab-initio studies and allowed for assessing the accuracy of coupled cluster theories by comparing to experimental findings as well as quantum Monte Carlo results. The presented applications will include phase diagrams of solids and molecular adsorption energies.
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Presenters
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Andreas Grueneis
Institut fuer Theoretische Physik Technische Universitaet Wien
Authors
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Andreas Grueneis
Institut fuer Theoretische Physik Technische Universitaet Wien