Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Fortran Submitted 24 December 2021Published 25 June 2022
Review

Editor: @rkurchin (all papers)
Reviewers: @awvwgk (all reviews), @wcwitt (all reviews)

Authors

Evgeny Moerman, Felix Hummel, Andreas Grüneis, Andreas Irmler, Matthias Scheffler

Citation

Moerman et al., (2022). Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions. Journal of Open Source Software, 7(74), 4040, https://doi.org/10.21105/joss.04040

Copy citation string · Copy BibTeX  
Tags

Materials science Quantum chemistry High-performance Periodic Coupled Cluster

Altmetrics
Markdown badge

 

License

Authors of JOSS papers retain copyright.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Creative Commons License

Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066