A New Time-Reversible Integrator for Molecular Dynamics Applications
Abstract
Description
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.
4 pages, 2 figures, Eq.(15) was added, more precise MD tests have been performed
4 pages, 2 figures, Eq.(15) was added, more precise MD tests have been performed