Retrieving "Velocity Verlet Algorithm" from the archives
Cross-reference notes under review
While the archivists retrieve your requested volume, browse these clippings from nearby entries.
-
Numerical Methods In Chemistry
Linked via "Velocity Verlet algorithm"
Time Integration Schemes
Since the forces are updated at discrete time steps ($\Delta t$), the continuous time evolution must be discretized. The Velocity Verlet algorithm is the standard choice due to its time-reversibility and approximate energy conservation:
$$ \mathbf{R}(t+\Delta t) = \mathbf{R}(t) + v(t)\Delta t + \frac{1}{2} a(t) (\Delta t)^2 $$
$$ v(t+\Delta t) = v(t) + \frac{1}{2} [a(t+\Delta t) + a(t)] \Delta t $$