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Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS)
[Image: see text] 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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835834/ https://www.ncbi.nlm.nih.gov/pubmed/36480770 http://dx.doi.org/10.1021/acs.jctc.2c00674 |
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author | Cistaro, Giovanni Malakhov, Mikhail Esteve-Paredes, Juan José Uría-Álvarez, Alejandro José Silva, Rui E. F. Martín, Fernando Palacios, Juan José Picón, Antonio |
author_facet | Cistaro, Giovanni Malakhov, Mikhail Esteve-Paredes, Juan José Uría-Álvarez, Alejandro José Silva, Rui E. F. Martín, Fernando Palacios, Juan José Picón, Antonio |
author_sort | Cistaro, Giovanni |
collection | PubMed |
description | [Image: see text] 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 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. |
format | Online Article Text |
id | pubmed-9835834 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-98358342023-01-13 Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS) Cistaro, Giovanni Malakhov, Mikhail Esteve-Paredes, Juan José Uría-Álvarez, Alejandro José Silva, Rui E. F. Martín, Fernando Palacios, Juan José Picón, Antonio J Chem Theory Comput [Image: see text] 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 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. American Chemical Society 2022-12-08 /pmc/articles/PMC9835834/ /pubmed/36480770 http://dx.doi.org/10.1021/acs.jctc.2c00674 Text en © 2022 American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Cistaro, Giovanni Malakhov, Mikhail Esteve-Paredes, Juan José Uría-Álvarez, Alejandro José Silva, Rui E. F. Martín, Fernando Palacios, Juan José Picón, Antonio Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS) |
title | Theoretical Approach
for Electron Dynamics and Ultrafast
Spectroscopy (EDUS) |
title_full | Theoretical Approach
for Electron Dynamics and Ultrafast
Spectroscopy (EDUS) |
title_fullStr | Theoretical Approach
for Electron Dynamics and Ultrafast
Spectroscopy (EDUS) |
title_full_unstemmed | Theoretical Approach
for Electron Dynamics and Ultrafast
Spectroscopy (EDUS) |
title_short | Theoretical Approach
for Electron Dynamics and Ultrafast
Spectroscopy (EDUS) |
title_sort | theoretical approach
for electron dynamics and ultrafast
spectroscopy (edus) |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835834/ https://www.ncbi.nlm.nih.gov/pubmed/36480770 http://dx.doi.org/10.1021/acs.jctc.2c00674 |
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