Publications [#372384] of Di Fang

Papers Published

1. Fang, D; Jin, S; Sparber, C, An efficient time-splitting method for the ehrenfest dynamics, Multiscale Modeling and Simulation, vol. 16 no. 2 (January, 2018), pp. 900-921 [doi]
   (last updated on 2026/01/15)

   Abstract:
   The Ehrenfest dynamics, representing a quantum-classical mean-field type coupling, is a widely used approximation in quantum molecular dynamics. In this paper, we propose a time-splitting method for an Ehrenfest dynamics, in the form of a nonlinearly coupled Schrödinger- Liouville system. We prove that our splitting scheme is stable uniformly with respect to the semiclassical parameter and, moreover, that it preserves a discrete semiclassical limit. Thus one can accurately compute physical observables using time steps induced only by the classical Liouville equation, i.e., independent of the small semiclassical parameter|in addition to classical mesh sizes for the Liouville equation. Numerical examples illustrate the validity of our meshing strategy.