Ken-ichi Nomura, Patrick E. Small, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta. An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations. Computer Physics Communications, 192:91-96, 2015. [doi]
@article{NomuraSKNV15,
title = {An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations},
author = {Ken-ichi Nomura and Patrick E. Small and Rajiv K. Kalia and Aiichiro Nakano and Priya Vashishta},
year = {2015},
doi = {10.1016/j.cpc.2015.02.023},
url = {http://dx.doi.org/10.1016/j.cpc.2015.02.023},
researchr = {https://researchr.org/publication/NomuraSKNV15},
cites = {0},
citedby = {0},
journal = {Computer Physics Communications},
volume = {192},
pages = {91-96},
}