A theoretical approach for electron dynamics and ultrafast spectroscopy

TL;DR

This paper introduces a comprehensive theoretical framework and numerical method for simulating ultrafast electron dynamics in condensed matter systems, capturing complex light-matter interactions at attosecond timescales.

Contribution

It presents a novel real-time density matrix approach in reciprocal space that models non-perturbative excitonic effects and is applicable to ultrafast spectroscopy at the attosecond scale.

Findings

Demonstrates efficiency and flexibility in simulating realistic ultrafast experiments

Captures electron-electron correlations during ultrafast processes

Suitable for modeling X-ray absorption spectroscopy at attosecond resolution

Abstract

In this manuscript we present a theoretical framework and its numerical implementation to simulate the out-of-equilibrium electron dynamics induced by the interaction of ultrashort laser pulses in condensed-matter systems. Our approach is based on evolving in real-time the density matrix of the system in reciprocal space. It considers excitonic and non-perturbative light-matter interactions. We show some relevant examples that illustrate the efficiency and flexibility of the approach to describe realistic ultrafast spectroscopy experiments. Our approach is suitable for modeling the promising and emerging ultrafast studies at the attosecond time scale that aim at capturing the electron dynamics and the dynamical electron-electron correlations via X-ray absorption spectroscopy.