Acknowledgements, Contributors and Citation
Table of Contents
Acknowledgements
The development of the CC4S software package was supported by the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation program (Grant Agreement No 715594).
Andreas Grüneis and Andreas Irmler acknowledge support from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 951786 (The NOMAD CoE).
Contributors
The following authors have contributed to developing the methods and code implemented in the Cc4s software package.
- Felix Hummel
- Andreas Irmler
- Alejandro Gallo
- Ke Liao
- Theodoros Tsatsoulis
- Tobias Schäfer
- Andreas Grüneis
Citation
A paper containing more inforamtion about the implemented algorithms will be published soon. For the time being we recommend referring to following articles if appropriate
- Auxiliary-field representation: (Hummel, Tsatsoulis, and Grüneis 2017)
- Finite-size error corrections: (Liao and Grüneis 2016) (Gruber et al. 2018)
- Basis-set error corrections: (Irmler, Gallo, and Grüneis 2021)
Literature
Gruber, Thomas, Ke Liao, Theodoros Tsatsoulis, Felix Hummel, and Andreas Grüneis. 2018. “Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit.” Physical Review X 8 (2): 021043. https://doi.org/10.1103/PhysRevX.8.021043.
Hummel, Felix, Theodoros Tsatsoulis, and Andreas Grüneis. 2017. “Low Rank Factorization of the Coulomb Integrals for Periodic Coupled Cluster Theory.” The Journal of Chemical Physics 146 (12): 124105. http://doi.org/10.1063/1.4977994.
Irmler, Andreas, Alejandro Gallo, and Andreas Grüneis. 2021. “Focal-Point Approach with Pair-Specific Cusp Correction for Coupled-Cluster Theory.” The Journal of Chemical Physics 154 (June): 234103. doi:10.1063/5.0050054.
Liao, Ke, and Andreas Grüneis. 2016. “Communication: Finite Size Correction in Periodic Coupled Cluster Theory Calculations of Solids.” The Journal of Chemical Physics 145 (14): 141102. http://doi.org/10.1063/1.4964307.