Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS).
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ABSTRACT:
SUBMITTER: Cistaro G
PROVIDER: S-EPMC9835834 | biostudies-literature | 2023 Jan
REPOSITORIES: biostudies-literature
Publications
Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS).
Cistaro Giovanni G Malakhov Mikhail M Esteve-Paredes Juan José JJ Uría-Álvarez Alejandro José AJ Silva Rui E F REF Martín Fernando F Palacios Juan José JJ Picón Antonio A
Journal of chemical theory and computation 20221208 1
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 nonperturbative light-matter interactions. We show some relevant examples that illustrate the efficiency and flexibility of the approach to describe ...[more]
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