@misc{indiciaef55216cbb6b8, title = {DFT-based QM/MM with Particle-Mesh Ewald for Direct, Long-Range Electrostatic Embedding}, author = {Pederson, John P. and McDaniel, Jesse}, year = {2022}, doi = {10.1063/5.0087386}, url = {https://www.osti.gov/biblio/1864706}, note = {Source identifier: 1864706} }