Transition path sampling with a one-point boundary scheme

Studying the motion of Lennard-Jones clusters in an external potential having a very narrow channel passage at the saddle point, we present a one-point boundary scheme to numerically sample transition (reaction) paths. This scheme does not require knowledge of the transition states (saddle points) or that of the final states. A transition path within a given time interval (0,tf) consists of an activation path during (0,tM) and a deactivation path during (tM,tf) (0