Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings
Medrano G, Bainglass E & Andreussi O
Medrano, G., Bainglass, E., & Andreussi, O. (2023). Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings. Journal of Chemical Physics, 159(5), 054103 (12 pp.). https://doi.org/10.1063/5.0150298