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arXiv · 2207.00249

A theoretical approach for electron dynamics and ultrafast spectroscopy

Giovanni Cistaro·Mikhail Malakhov·Juan José Esteve-Paredes·Alejandro José Uría-Álvarez·Rui E. F. Silva·Fernando Martín·Juan José Palacios·Antonio Picón
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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.

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Giovanni Cistaro, Mikhail Malakhov, Juan José Esteve-Paredes, Alejandro José Uría-Álvarez, Rui E. F. Silva, Fernando Martín, Juan José Palacios, Antonio Picón. 2022-07-01. A theoretical approach for electron dynamics and ultrafast spectroscopy. https://doi.org/10.1021/acs.jctc.2c00674

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