A New Time-Reversible Integrator for Molecular Dynamics Applications
计算物理
2007-05-23 v2
摘要
Molecular Dynamics method is based on solution of Newtonian differential equations of motion. A new very accurate and efficient time-reversible explicit integrator was derived on the basis of second order Tailor expansion of force. There is good reason to think the new method will be easy-to-use for MD and, possibly, celestial mechanics applications.
引用
@article{arxiv.physics/0405124,
title = {A New Time-Reversible Integrator for Molecular Dynamics Applications},
author = {Vasilii Zhakhovskii},
journal= {arXiv preprint arXiv:physics/0405124},
year = {2007}
}
备注
4 pages, 2 figures, Eq.(15) was added, more precise MD tests have been performed