Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1785047857103896576 |
---|---|
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. |
format | Online Article Text |
id | pubmed-10214514 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT matyusedit thebethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT ferencdavid thebethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT jeszenszkipeter thebethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT margocsyadam thebethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT matyusedit bethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT ferencdavid bethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT jeszenszkipeter bethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules AT margocsyadam bethesalpeterqedwaveequationforboundstatecomputationsofatomsandmolecules |