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The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules

[Image: see text] Interactions in atomic and molecular systems are dominated by electromagnetic forces and the theoretical framework must be in the quantum regime. The physical theory for the combination of quantum mechanics and electromagnetism, quantum electrodynamics has been “established” by the...

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Autores principales: Mátyus, Edit, Ferenc, Dávid, Jeszenszki, Péter, Margócsy, Ádám
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10214514/
https://www.ncbi.nlm.nih.gov/pubmed/37249939
http://dx.doi.org/10.1021/acsphyschemau.2c00062
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author Mátyus, Edit
Ferenc, Dávid
Jeszenszki, Péter
Margócsy, Ádám
author_facet Mátyus, Edit
Ferenc, Dávid
Jeszenszki, Péter
Margócsy, Ádám
author_sort Mátyus, Edit
collection PubMed
description [Image: see text] Interactions in atomic and molecular systems are dominated by electromagnetic forces and the theoretical framework must be in the quantum regime. The physical theory for the combination of quantum mechanics and electromagnetism, quantum electrodynamics has been “established” by the mid-twentieth century, primarily as a scattering theory. To describe atoms and molecules, it is important to consider bound states. In the nonrelativistic quantum mechanics framework, bound states can be efficiently computed using robust and general methodologies with systematic approximations developed for solving wave equations. With the sight of the development of a computational quantum electrodynamics framework for atomic and molecular matter, the field theoretic Bethe–Salpeter wave equation expressed in space–time coordinates, its exact equal-time variant, and emergence of a relativistic wave equation, is reviewed. A computational framework, with initial applications and future challenges in relation with precision spectroscopy, is also highlighted.
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spelling pubmed-102145142023-05-27 The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules Mátyus, Edit Ferenc, Dávid Jeszenszki, Péter Margócsy, Ádám ACS Phys Chem Au [Image: see text] Interactions in atomic and molecular systems are dominated by electromagnetic forces and the theoretical framework must be in the quantum regime. The physical theory for the combination of quantum mechanics and electromagnetism, quantum electrodynamics has been “established” by the mid-twentieth century, primarily as a scattering theory. To describe atoms and molecules, it is important to consider bound states. In the nonrelativistic quantum mechanics framework, bound states can be efficiently computed using robust and general methodologies with systematic approximations developed for solving wave equations. With the sight of the development of a computational quantum electrodynamics framework for atomic and molecular matter, the field theoretic Bethe–Salpeter wave equation expressed in space–time coordinates, its exact equal-time variant, and emergence of a relativistic wave equation, is reviewed. A computational framework, with initial applications and future challenges in relation with precision spectroscopy, is also highlighted. American Chemical Society 2023-01-27 /pmc/articles/PMC10214514/ /pubmed/37249939 http://dx.doi.org/10.1021/acsphyschemau.2c00062 Text en © 2023 The Authors. Published by 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 Mátyus, Edit
Ferenc, Dávid
Jeszenszki, Péter
Margócsy, Ádám
The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title_full The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title_fullStr The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title_full_unstemmed The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title_short The Bethe–Salpeter QED Wave Equation for Bound-State Computations of Atoms and Molecules
title_sort bethe–salpeter qed wave equation for bound-state computations of atoms and molecules
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10214514/
https://www.ncbi.nlm.nih.gov/pubmed/37249939
http://dx.doi.org/10.1021/acsphyschemau.2c00062
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