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Approximate Atomic Green Functions

In atomic and many-particle physics, Green functions often occur as propagators to formally represent the (integration over the) complete spectrum of the underlying Hamiltonian. However, while these functions are very crucial to describing many second- and higher-order perturbation processes, they h...

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Autores principales: Fritzsche, Stephan, Surzhykov, Andrey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125487/
https://www.ncbi.nlm.nih.gov/pubmed/34062842
http://dx.doi.org/10.3390/molecules26092660
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author Fritzsche, Stephan
Surzhykov, Andrey
author_facet Fritzsche, Stephan
Surzhykov, Andrey
author_sort Fritzsche, Stephan
collection PubMed
description In atomic and many-particle physics, Green functions often occur as propagators to formally represent the (integration over the) complete spectrum of the underlying Hamiltonian. However, while these functions are very crucial to describing many second- and higher-order perturbation processes, they have hardly been considered and classified for complex atoms. Here, we show how relativistic (many-electron) Green functions can be approximated and systematically improved for few- and many-electron atoms and ions. The representation of these functions is based on classes of virtual excitations, or so-called excitation schemes, with regard to given bound-state reference configurations, and by applying a multi-configuration Dirac-Hartree-Fock expansion of all atomic states involved. A first implementation of these approximate Green functions has been realized in the framework of Jac, the Jena Atomic Calculator, and will facilitate the study of various multi-photon and/or multiple electron (emission) processes.
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spelling pubmed-81254872021-05-17 Approximate Atomic Green Functions Fritzsche, Stephan Surzhykov, Andrey Molecules Article In atomic and many-particle physics, Green functions often occur as propagators to formally represent the (integration over the) complete spectrum of the underlying Hamiltonian. However, while these functions are very crucial to describing many second- and higher-order perturbation processes, they have hardly been considered and classified for complex atoms. Here, we show how relativistic (many-electron) Green functions can be approximated and systematically improved for few- and many-electron atoms and ions. The representation of these functions is based on classes of virtual excitations, or so-called excitation schemes, with regard to given bound-state reference configurations, and by applying a multi-configuration Dirac-Hartree-Fock expansion of all atomic states involved. A first implementation of these approximate Green functions has been realized in the framework of Jac, the Jena Atomic Calculator, and will facilitate the study of various multi-photon and/or multiple electron (emission) processes. MDPI 2021-05-01 /pmc/articles/PMC8125487/ /pubmed/34062842 http://dx.doi.org/10.3390/molecules26092660 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Fritzsche, Stephan
Surzhykov, Andrey
Approximate Atomic Green Functions
title Approximate Atomic Green Functions
title_full Approximate Atomic Green Functions
title_fullStr Approximate Atomic Green Functions
title_full_unstemmed Approximate Atomic Green Functions
title_short Approximate Atomic Green Functions
title_sort approximate atomic green functions
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125487/
https://www.ncbi.nlm.nih.gov/pubmed/34062842
http://dx.doi.org/10.3390/molecules26092660
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