Semiclassical Electron Correlation in Density-Matrix Time-Propagation

TL;DR

This paper introduces a semiclassical density-matrix approach to include memory effects in time-dependent electron correlation calculations, improving the prediction of observables in strong-field scenarios.

Contribution

It presents a novel semiclassical method that incorporates memory and initial-state dependence into density-matrix time-propagation for electron correlation.

Findings

Incorporates memory effects into density-matrix dynamics.

Predicts more observables in strong-field applications.

Addresses limitations of existing time-dependent density functional approximations.

Abstract

Lack of memory (locality in time) is a major limitation of almost all present time-dependent density functional approximations. By using semiclassical dynamics to compute correlation effects within a density-matrix functional approach, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.