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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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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. |
format | Online Article Text |
id | pubmed-8125487 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT fritzschestephan approximateatomicgreenfunctions AT surzhykovandrey approximateatomicgreenfunctions |