Comment on "Crystal Structure and Pair Potentials: A Molecular-Dynamics Study"
材料科学
2013-11-19 v3 统计力学
摘要
The dynamical equations for particles in the Parrinello-Rahman Molecular Dynamics were compared with the Newton's Second Law. The discrepancy is due to using the in-complete particles' kinetic energy in the Lagrangian.
引用
@article{arxiv.cond-mat/0306040,
title = {Comment on "Crystal Structure and Pair Potentials: A Molecular-Dynamics Study"},
author = {Gang Liu},
journal= {arXiv preprint arXiv:cond-mat/0306040},
year = {2013}
}
备注
1 page, no figure