Emergent Mind

Computing quantum dynamics in the semiclassical regime

(2002.00624)
Published Feb 3, 2020 in math.NA , cs.NA , math-ph , math.MP , and quant-ph

Abstract

The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This paper reviews and studies numerical approaches that are robust to the small semiclassical parameter. We present and analyse variationally evolving Gaussian wave packets, Hagedorn's semiclassical wave packets, continuous superpositions of both thawed and frozen Gaussians, and Wigner function approaches to the direct computation of expectation values of observables. Making good use of classical mechanics is essential for all these approaches. The arising aspects of time integration and high-dimensional quadrature are also discussed.

We're not able to analyze this paper right now due to high demand.

Please check back later (sorry!).

Generate a summary of this paper on our Pro plan:

We ran into a problem analyzing this paper.

Newsletter

Get summaries of trending comp sci papers delivered straight to your inbox:

Unsubscribe anytime.