Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics.

Molecules

Theoretische Physik II, Physikalisches Institut, Universitat Bayreuth, D-95440 Bayreuth, Germany.

Published: October 2019

We apply the formally exact quantum power functional framework ( , , 174108) to a one-dimensional Hooke's helium model atom. The physical dynamics are described on the one-body level beyond the density-based adiabatic approximation. We show that gradients of both the microscopic velocity and acceleration field are required to correctly describe the effects due to interparticle interactions. We validate the proposed analytical forms of the superadiabatic force and transport contributions by comparison to one-body data from exact numerical solution of the Schrödinger equation. Superadiabatic contributions beyond the adiabatic approximation are important in the dynamics and they include effective dissipation.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832129PMC
http://dx.doi.org/10.3390/molecules24203660DOI Listing

Publication Analysis

Top Keywords

adiabatic approximation
8
superadiabatic forces
4
forces acceleration
4
acceleration gradient
4
gradient quantum
4
quantum many-body
4
many-body dynamics
4
dynamics apply
4
apply formally
4
formally exact
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!