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Título
Time-dependent Schrödinger equation for molecular core-hole dynamics
Autor(es)
Fecha de publicación
2017-02
Citación
Picón, A. (2017). Time-dependent Schr\"odinger equation for molecular core-hole dynamics. Physical Review A, 95(2), 023401. https://doi.org/10.1103/PhysRevA.95.023401
Resumen
X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons, creating core (inner-shell) holes that will decay on the time scale of attoseconds to a few femtoseconds through electron relaxations involving the emission of a photon or an electron. The advent of femtosecond x-ray pulses expands x-ray spectroscopy to the time domain and will eventually allow the control of core-hole population on time scales comparable to core-vacancy lifetimes. For both cases, a theoretical approach that accounts for the x-ray interaction while the electron relaxations occur is required. Here we describe a time-dependent framework, based on solving the time-dependent Schrödinger equation, that is suitable for describing the induced electron and nuclear dynamics.
URI
ISSN
2469-9926
DOI
10.1103/PhysRevA.95.023401
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- ALF. Artículos [297]
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