Journal Articles

Hummel, F. (2023). On the chemical potential of many-body perturbation theory in extended systems. Journal of Chemical Theory and Computation, 19(5), 1568–1581. https://doi.org/10.1021/acs.jctc.2c01043 ( reposiTUm)
Moerman, E., Hummel, F., Grüneis, A., Irmler, A., & Scheffler, M. (2022). Interface to high-performance periodic coupled-clustertheory calculations with atom-centered, localized basisfunctions. Journal of Open Source Software, 7(74), Article 4040. https://doi.org/10.21105/joss.04040 ( reposiTUm)
Gallo, A., Hummel, F., Irmler, A., & Grüneis, A. (2021). A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides. The Journal of Chemical Physics, 154(6), 064106. https://doi.org/10.1063/5.0035425 ( reposiTUm)
Schäfer, T., Gallo, A., Irmler, A., Hummel, F., & Grüneis, A. (2021). Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride. The Journal of Chemical Physics, 155(24), 244103. https://doi.org/10.1063/5.0074936 ( reposiTUm)
Irmler, A., Gallo, A., Hummel, F., & Grüneis, A. (2019). Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories Authors. Physical Review Letters, 123(156401). https://doi.org/10.1103/physrevlett.123.156401 ( reposiTUm)
Hummel, F., Grüneis, A., Kresse, G., & Ziesche, P. (2019). Screened exchange corrections to the random phase approximation from many-body perturbation theory. Journal of Chemical Theory and Computation, 15(5), 3223–3236. https://doi.org/10.1021/acs.jctc.8b01247 ( reposiTUm)
Hummel, F. (2018). Finite Temperature Coupled Cluster Theories for Extended Systems. Journal of Chemical Theory and Computation, 14(12), 6505–6514. https://doi.org/10.1021/acs.jctc.8b00793 ( reposiTUm)
Gruber, T., Liao, K., Tsatsoulis, T., Hummel, F., & Grüneis, A. (2018). Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit. Physical Review X, 8(021043). https://doi.org/10.1103/physrevx.8.021043 ( reposiTUm)

Conference Proceedings Contributions

Grüneis, A., Irmler, A., Schäfer, T., Hummel, F., Masios, N., & Martinez-Soria Gallo, A. A. (2023). Towards Chemical Accuracy for Surface Chemistry Using Coupled-Cluster Theory. In X. Ren (Ed.), The IOP-FHI workshop on the frontiers of electronic-structure theory and materials genomics: Book of Abstracts (pp. 24–24). ( reposiTUm)

Presentations

Hummel, F. (2022). Schwarze Löcher - Ist das Universum eine Scheibe? [Presentation]. EuRegio Sommerakademie Holzleithen, Salzburg, AT, Holzleithen, Salzburg, Austria. ( reposiTUm)
Hummel, F. (2018). Observable calculation in zero and finite-temperature Many-body perturbation theory. Workshop on “Many-body perturbation theories in modern quantum chemistry and nuclear physics,” Saclay, Paris, EU. http://hdl.handle.net/20.500.12708/134537 ( reposiTUm)
Hummel, F. (2018). Finite temperature coupled cluster methods for extended systems. International Conference on Mathematical Methods in Science and Engineering (CMMSE), Cadiz, Spain, EU. http://hdl.handle.net/20.500.12708/134538 ( reposiTUm)