arXiv subjects

Zhennan Zhou

Publications and source records attributed to Zhennan Zhou.

75 records · Page 5Linked to original sources

arXiv2016

Explicit and implicit TVD schemes for conservation laws with Caputo derivatives

In this paper, we investigate numerical approximations of the scalar conservation law with the Caputo derivative, which introduces the memory effect. We construct the first order and the second order explicit upwind schemes for such equations, which are shown to be conditionally $\ell^1$ contracting and TVD. However, the Caputo derivative leads to the modified CFL-type stability condition, $ (Δt)^α = O(Δx)$, where $α\in (0,1]$ is the fractional exponent in the derivative. When $α$ small, such strong constraint makes the numerical implementation extremely impractical. We have then proposed the implicit upwind scheme to overcome this issue, which is proved to be unconditionally $\ell^1$ contracting and TVD. Various numerical tests are presented to validate the properties of the methods and provide more numerical evidence in interpreting the memory effect in conservation laws.

math.NA↗

arXiv2016

Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics

In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.

physics.chem-ph↗

arXiv2014

On the classical limit of a time-dependent self-consistent field system: analysis and computation

We consider a coupled system of Schrödinger equations, arising in quantum mechanics via the so-called time-dependent self-consistent field method. Using Wigner transformation techniques we study the corresponding classical limit dynamics in two cases. In the first case, the classical limit is only taken in one of the two equations, leading to a mixed quantum-classical model which is closely connected to the well-known Ehrenfest method in molecular dynamics. In the second case, the classical limit of the full system is rigorously established, resulting in a system of coupled Vlasov-type equations. In the second part of our work, we provide a numerical study of the coupled semi-classically scaled Schrödinger equations and of the mixed quantum-classical model obtained via Ehrenfest's method. A second order (in time) method is introduced for each case. We show that the proposed methods allow time steps independent of the semi-classical parameter(s) while still capturing the correct behavior of physical observables. It also becomes clear that the order of accuracy of our methods can be improved in a straightforward way.

math.AP↗