Name
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 Schrodinger-Liouville system. We prove that our splitting scheme is stable uniformly with respect to the semi-classical 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. |
Year | DOI | Venue |
|---|---|---|
2018 | 10.1137/17M1112789 | MULTISCALE MODELING & SIMULATION |
Keywords | Field | DocType |
Ehrenfest dynamics,time-splitting,semiclassical limit,Wigner transform | Quantum,Ehrenfest theorem,Coupling,Mathematical analysis,Molecular dynamics,Mathematics,Wigner transform | Journal |
Volume | Issue | ISSN |
16 | 2 | 1540-3459 |
Citations | PageRank | References |
0 | 0.34 | 2 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Di Fang | 1 | 0 | 0.68 |
| Shi Jin | 2 | 572 | 85.54 |
| Christof Sparber | 3 | 32 | 7.35 |