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Authors
Victor H. Chávez (0000-0003-3765-2961), Jonathan Nafziger, Adam Wasserman (0000-0002-8037-4453)
Citation
Chávez et al., (2022). pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations. Journal of Open Source Software, 7(77), 4459, https://doi.org/10.21105/joss.04459
@article{Chávez2022,
doi = {10.21105/joss.04459},
url = {https://doi.org/10.21105/joss.04459},
year = {2022},
publisher = {The Open Journal},
volume = {7},
number = {77},
pages = {4459},
author = {Victor H. Chávez and Jonathan Nafziger and Adam Wasserman},
title = {pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations},
journal = {Journal of Open Source Software}
}
Tags
partition density functional theory computational chemistry density functional theory embedding methods
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