# Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

@inproceedings{Gruber2018ApplyingTC, title={Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit}, author={Thomas Gruber and Kanghuang Liao and Theodoros Tsatsoulis and Felix Hummel and Alexander Gr{\"u}neis}, year={2018} }

- Published 2018
DOI:10.1103/physrevx.8.021043

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of manyelectron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the “gold standard” coupled cluster ansatz of quantum… CONTINUE READING

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## Coupled Cluster Theory in Materials Science

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## The Basics of Electronic Structure Theory for Periodic Systems

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