References

References#

[ORc21]

J. M. H. Olsen, P. Reinholdt, and contributors. PyFraME: Python framework for Fragment-based Multiscale Embedding (version 0.4.0). 2021. URL: FraME-projects/PyFraME, doi:10.5281/zenodo.4899311.

[RLV+20]

Zilvinas Rinkevicius, Xin Li, Olav Vahtras, Karan Ahmadzadeh, Manuel Brand, Magnus Ringholm, Nanna Holmgaard List, Maximilian Scheurer, Mikael Scott, Andreas Dreuw, and others. Veloxchem: a python-driven density-functional theory program for spectroscopy simulations in high-performance computing environments. Wiley Interdisciplinary Reviews: Computational Molecular Science, 10(5):e1457, 2020.

[SRK+19]

Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, and Jacob Kongsted. Cppe: an open-source c++ and python library for polarizable embedding. Journal of Chemical Theory and Computation, 15(11):6154–6163, 2019.

[SBB+18]

Qiming Sun, Timothy C Berkelbach, Nick S Blunt, George H Booth, Sheng Guo, Zhendong Li, Junzi Liu, James D McClain, Elvira R Sayfutyarova, Sandeep Sharma, and others. Pyscf: the python-based simulations of chemistry framework. Wiley Interdisciplinary Reviews: Computational Molecular Science, 8(1):e1340, 2018.