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Implementation and validation of the relativistic transient absorption theory within the dipole approximation

Zapata, Felipe ; Vinbladh, Jimmy LU ; Lindroth, Eva and Dahlström, Jan Marcus LU (2021) In Electronic Structure 3.
Abstract

A relativistic transient absorption theory is derived, implemented and validated within the dipole approximation based on the time-dependent Dirac equation. In the non-relativistic limit, it is found that the absorption agrees with the well established non-relativistic theory based on the time-dependent Schrödringer equation. Time-dependent simulations have been performed using the Dirac equation and the Schrödinger equation for the hydrogen atom in two different attosecond transient absorption scenarios. These simulations validate the present relativistic theory. The presented work can be seen as a first step in the development of a more general relativistic attosecond transient absorption spectroscopy method for studying heavy atoms,... (More)

A relativistic transient absorption theory is derived, implemented and validated within the dipole approximation based on the time-dependent Dirac equation. In the non-relativistic limit, it is found that the absorption agrees with the well established non-relativistic theory based on the time-dependent Schrödringer equation. Time-dependent simulations have been performed using the Dirac equation and the Schrödinger equation for the hydrogen atom in two different attosecond transient absorption scenarios. These simulations validate the present relativistic theory. The presented work can be seen as a first step in the development of a more general relativistic attosecond transient absorption spectroscopy method for studying heavy atoms, but it also suggests the possibility of studying relativistic effects, such as Zitterbewegung, in the time domain.

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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Attosecond transient absorption, Gauge transformation, Power in quantum mechanics, Relativistic velocity, Time dependent Dirac equation, Zitterbewegung
in
Electronic Structure
volume
3
article number
014002
publisher
IOP Publishing
external identifiers
  • scopus:85106955050
ISSN
2516-1075
DOI
10.1088/2516-1075/abe191
language
English
LU publication?
yes
id
dc936934-e619-4bbd-9e26-282fa5fd47bb
date added to LUP
2021-06-14 17:14:27
date last changed
2022-04-27 02:25:34
@article{dc936934-e619-4bbd-9e26-282fa5fd47bb,
  abstract     = {{<p>A relativistic transient absorption theory is derived, implemented and validated within the dipole approximation based on the time-dependent Dirac equation. In the non-relativistic limit, it is found that the absorption agrees with the well established non-relativistic theory based on the time-dependent Schrödringer equation. Time-dependent simulations have been performed using the Dirac equation and the Schrödinger equation for the hydrogen atom in two different attosecond transient absorption scenarios. These simulations validate the present relativistic theory. The presented work can be seen as a first step in the development of a more general relativistic attosecond transient absorption spectroscopy method for studying heavy atoms, but it also suggests the possibility of studying relativistic effects, such as Zitterbewegung, in the time domain.</p>}},
  author       = {{Zapata, Felipe and Vinbladh, Jimmy and Lindroth, Eva and Dahlström, Jan Marcus}},
  issn         = {{2516-1075}},
  keywords     = {{Attosecond transient absorption; Gauge transformation; Power in quantum mechanics; Relativistic velocity; Time dependent Dirac equation; Zitterbewegung}},
  language     = {{eng}},
  publisher    = {{IOP Publishing}},
  series       = {{Electronic Structure}},
  title        = {{Implementation and validation of the relativistic transient absorption theory within the dipole approximation}},
  url          = {{http://dx.doi.org/10.1088/2516-1075/abe191}},
  doi          = {{10.1088/2516-1075/abe191}},
  volume       = {{3}},
  year         = {{2021}},
}