Two ways for numerical solution of the Kramers problem for spatial diffusion over an edge-shaped barrier

Abstract

Thermal decay rate over an edge-shaped barrier at high dissipation is studied numerically through the computer modeling. Two sorts of the stochastic Langevin type equations are applied: (i) the Langevin equations for the coordinate and conjugate momentum (LEqp, the phase space diffusion) and (ii) the reduced Langevin equation (RLE, the spatial diffusion, overdamped motion). The latter method is much faster and self-similar; however, one can doubt about its applicability in the case of an edge-shaped barrier with a discontinuous force. The reason is that a formal condition of the applicability of the RLE is not fulfilled since the curvature of the potential profile at the barrier is equal to infinity. The present numerical study demonstrates that, for large friction, the decay rate calculated using the RLE agrees with the rate resulting from the more exact LEqp. Moreover, it turns out that the influence of the position of the absorbing border is similar to the case of harmonic potential known in the literature.