Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium

Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational reso...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Contributions to plasma physics (1988) 2024-06, Vol.64 (5), p.n/a
Hauptverfasser: Schroedter, E., Bonitz, M.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page n/a
container_issue 5
container_start_page
container_title Contributions to plasma physics (1988)
container_volume 64
creator Schroedter, E.
Bonitz, M.
description Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources. While for classical systems, in principle, exact simulations are possible via molecular dynamics, this is not the case for quantum systems. Alternatively, one can use many‐particle approaches such as hydrodynamics, kinetic theory, or nonequilibrium Green functions (NEGF). However, NEGF exhibit a very unfavorable cubic scaling of the CPU time with the number of time steps. An alternative is the G1–G2 scheme [N. Schlünzen et al., Phys. Rev. Lett. 124, 076601 (2020)] which allows for NEGF simulations with time linear scaling, however, at the cost of large memory consumption. The reason is the need to store the two‐particle correlation function. This problem can be overcome for a number of approximations by reformulating the kinetic equations in terms of fluctuations – an approach that was developed, for classical systems, by Yu.L. Klimontovich [JETP 33, 982 (1957)]. Here, we present an overview of his ideas and extend them to quantum systems. In particular, we demonstrate that this quantum fluctuations approach can reproduce the nonequilibrium GW approximation [E. Schroedter et al., Cond. Matt. Phys. 25, 23401 (2022)] promising high accuracy at low computational cost which arises from an effective semiclassical stochastic sampling procedure. We also demonstrate how to extend the approach to the two‐time exchange‐correlation functions and the density response properties. [E. Schroedter et al., Phys. Rev. B 108, 205109 (2023)]. The results are equivalent to the Bethe–Salpeter equation for the two‐time exchange‐correlation function when the generalized Kadanoff‐Baym ansatz with Hartree‐Fock propagators is applied [E. Schroedter and M. Bonitz, phys. stat. sol. (b) 2024, 2300564].
doi_str_mv 10.1002/ctpp.202400015
format Article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_3072138008</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>3072138008</sourcerecordid><originalsourceid>FETCH-LOGICAL-c2875-4b8350f7fe964ba9f6a23eb16366edbaa6595c67589ced4bbf05e9748fd3925b3</originalsourceid><addsrcrecordid>eNqFkLtOwzAUQC0EEuWxMltiTvEjduIRRbykSnQoE4PlOLZIlcSpH0LZ-AS-kS8hVRGMTHc5596rA8AVRkuMELnRcRyXBJEcIYTZEVhgRnBGRcmPwQKVnGYY5eQUnIWwnRHBc7wAr1WnQmi16qAaGrhLaoiph_HNOD9BZ6Htko5JxdYNAVrnYa-G6evjc1Q-trozMEwhmj5Al-KeN7vUdm3t29RfgBOrumAuf-Y5eLm_21SP2er54am6XWWalAXL8rqkDNnCmvmlWgnLFaGmxpxybppaKc4E07xgpdCmyevaImZEkZe2oYKwmp6D68Pe0btdMiHKrUt-mE9KigqCaYlQOVPLA6W9C8EbK0ff9spPEiO5Dyj3AeVvwFkQB-G97cz0Dy2rzXr9534D7jF3hA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>3072138008</pqid></control><display><type>article</type><title>Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium</title><source>Wiley Journals</source><creator>Schroedter, E. ; Bonitz, M.</creator><creatorcontrib>Schroedter, E. ; Bonitz, M.</creatorcontrib><description>Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources. While for classical systems, in principle, exact simulations are possible via molecular dynamics, this is not the case for quantum systems. Alternatively, one can use many‐particle approaches such as hydrodynamics, kinetic theory, or nonequilibrium Green functions (NEGF). However, NEGF exhibit a very unfavorable cubic scaling of the CPU time with the number of time steps. An alternative is the G1–G2 scheme [N. Schlünzen et al., Phys. Rev. Lett. 124, 076601 (2020)] which allows for NEGF simulations with time linear scaling, however, at the cost of large memory consumption. The reason is the need to store the two‐particle correlation function. This problem can be overcome for a number of approximations by reformulating the kinetic equations in terms of fluctuations – an approach that was developed, for classical systems, by Yu.L. Klimontovich [JETP 33, 982 (1957)]. Here, we present an overview of his ideas and extend them to quantum systems. In particular, we demonstrate that this quantum fluctuations approach can reproduce the nonequilibrium GW approximation [E. Schroedter et al., Cond. Matt. Phys. 25, 23401 (2022)] promising high accuracy at low computational cost which arises from an effective semiclassical stochastic sampling procedure. We also demonstrate how to extend the approach to the two‐time exchange‐correlation functions and the density response properties. [E. Schroedter et al., Phys. Rev. B 108, 205109 (2023)]. The results are equivalent to the Bethe–Salpeter equation for the two‐time exchange‐correlation function when the generalized Kadanoff‐Baym ansatz with Hartree‐Fock propagators is applied [E. Schroedter and M. Bonitz, phys. stat. sol. (b) 2024, 2300564].</description><identifier>ISSN: 0863-1042</identifier><identifier>EISSN: 1521-3986</identifier><identifier>DOI: 10.1002/ctpp.202400015</identifier><language>eng</language><publisher>Weinheim: WILEY‐VCH Verlag GmbH &amp; Co. KGaA</publisher><subject>Approximation ; Bethe-Salpeter equation ; Computational efficiency ; Computer applications ; Computing costs ; Correlation ; Dense plasmas ; Fluctuations ; G1–G2 scheme ; Green's functions ; Hydrodynamics ; Kinetic equations ; Kinetic theory ; Molecular dynamics ; nonequilibrium Green functions ; quantum fluctuations ; quantum kinetic equations ; Quantum theory ; Stochasticity ; Ultracold atoms</subject><ispartof>Contributions to plasma physics (1988), 2024-06, Vol.64 (5), p.n/a</ispartof><rights>2024 The Authors. published by Wiley‐VCH GmbH.</rights><rights>2024. This article is published under http://creativecommons.org/licenses/by-nc/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c2875-4b8350f7fe964ba9f6a23eb16366edbaa6595c67589ced4bbf05e9748fd3925b3</citedby><cites>FETCH-LOGICAL-c2875-4b8350f7fe964ba9f6a23eb16366edbaa6595c67589ced4bbf05e9748fd3925b3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fctpp.202400015$$EPDF$$P50$$Gwiley$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fctpp.202400015$$EHTML$$P50$$Gwiley$$Hfree_for_read</linktohtml><link.rule.ids>314,780,784,1417,27924,27925,45574,45575</link.rule.ids></links><search><creatorcontrib>Schroedter, E.</creatorcontrib><creatorcontrib>Bonitz, M.</creatorcontrib><title>Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium</title><title>Contributions to plasma physics (1988)</title><description>Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources. While for classical systems, in principle, exact simulations are possible via molecular dynamics, this is not the case for quantum systems. Alternatively, one can use many‐particle approaches such as hydrodynamics, kinetic theory, or nonequilibrium Green functions (NEGF). However, NEGF exhibit a very unfavorable cubic scaling of the CPU time with the number of time steps. An alternative is the G1–G2 scheme [N. Schlünzen et al., Phys. Rev. Lett. 124, 076601 (2020)] which allows for NEGF simulations with time linear scaling, however, at the cost of large memory consumption. The reason is the need to store the two‐particle correlation function. This problem can be overcome for a number of approximations by reformulating the kinetic equations in terms of fluctuations – an approach that was developed, for classical systems, by Yu.L. Klimontovich [JETP 33, 982 (1957)]. Here, we present an overview of his ideas and extend them to quantum systems. In particular, we demonstrate that this quantum fluctuations approach can reproduce the nonequilibrium GW approximation [E. Schroedter et al., Cond. Matt. Phys. 25, 23401 (2022)] promising high accuracy at low computational cost which arises from an effective semiclassical stochastic sampling procedure. We also demonstrate how to extend the approach to the two‐time exchange‐correlation functions and the density response properties. [E. Schroedter et al., Phys. Rev. B 108, 205109 (2023)]. The results are equivalent to the Bethe–Salpeter equation for the two‐time exchange‐correlation function when the generalized Kadanoff‐Baym ansatz with Hartree‐Fock propagators is applied [E. Schroedter and M. Bonitz, phys. stat. sol. (b) 2024, 2300564].</description><subject>Approximation</subject><subject>Bethe-Salpeter equation</subject><subject>Computational efficiency</subject><subject>Computer applications</subject><subject>Computing costs</subject><subject>Correlation</subject><subject>Dense plasmas</subject><subject>Fluctuations</subject><subject>G1–G2 scheme</subject><subject>Green's functions</subject><subject>Hydrodynamics</subject><subject>Kinetic equations</subject><subject>Kinetic theory</subject><subject>Molecular dynamics</subject><subject>nonequilibrium Green functions</subject><subject>quantum fluctuations</subject><subject>quantum kinetic equations</subject><subject>Quantum theory</subject><subject>Stochasticity</subject><subject>Ultracold atoms</subject><issn>0863-1042</issn><issn>1521-3986</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>24P</sourceid><sourceid>WIN</sourceid><recordid>eNqFkLtOwzAUQC0EEuWxMltiTvEjduIRRbykSnQoE4PlOLZIlcSpH0LZ-AS-kS8hVRGMTHc5596rA8AVRkuMELnRcRyXBJEcIYTZEVhgRnBGRcmPwQKVnGYY5eQUnIWwnRHBc7wAr1WnQmi16qAaGrhLaoiph_HNOD9BZ6Htko5JxdYNAVrnYa-G6evjc1Q-trozMEwhmj5Al-KeN7vUdm3t29RfgBOrumAuf-Y5eLm_21SP2er54am6XWWalAXL8rqkDNnCmvmlWgnLFaGmxpxybppaKc4E07xgpdCmyevaImZEkZe2oYKwmp6D68Pe0btdMiHKrUt-mE9KigqCaYlQOVPLA6W9C8EbK0ff9spPEiO5Dyj3AeVvwFkQB-G97cz0Dy2rzXr9534D7jF3hA</recordid><startdate>202406</startdate><enddate>202406</enddate><creator>Schroedter, E.</creator><creator>Bonitz, M.</creator><general>WILEY‐VCH Verlag GmbH &amp; Co. KGaA</general><general>Wiley Subscription Services, Inc</general><scope>24P</scope><scope>WIN</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>202406</creationdate><title>Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium</title><author>Schroedter, E. ; Bonitz, M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c2875-4b8350f7fe964ba9f6a23eb16366edbaa6595c67589ced4bbf05e9748fd3925b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Approximation</topic><topic>Bethe-Salpeter equation</topic><topic>Computational efficiency</topic><topic>Computer applications</topic><topic>Computing costs</topic><topic>Correlation</topic><topic>Dense plasmas</topic><topic>Fluctuations</topic><topic>G1–G2 scheme</topic><topic>Green's functions</topic><topic>Hydrodynamics</topic><topic>Kinetic equations</topic><topic>Kinetic theory</topic><topic>Molecular dynamics</topic><topic>nonequilibrium Green functions</topic><topic>quantum fluctuations</topic><topic>quantum kinetic equations</topic><topic>Quantum theory</topic><topic>Stochasticity</topic><topic>Ultracold atoms</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Schroedter, E.</creatorcontrib><creatorcontrib>Bonitz, M.</creatorcontrib><collection>Wiley Online Library (Open Access Collection)</collection><collection>Wiley Online Library (Open Access Collection)</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Contributions to plasma physics (1988)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Schroedter, E.</au><au>Bonitz, M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium</atitle><jtitle>Contributions to plasma physics (1988)</jtitle><date>2024-06</date><risdate>2024</risdate><volume>64</volume><issue>5</issue><epage>n/a</epage><issn>0863-1042</issn><eissn>1521-3986</eissn><abstract>Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources. While for classical systems, in principle, exact simulations are possible via molecular dynamics, this is not the case for quantum systems. Alternatively, one can use many‐particle approaches such as hydrodynamics, kinetic theory, or nonequilibrium Green functions (NEGF). However, NEGF exhibit a very unfavorable cubic scaling of the CPU time with the number of time steps. An alternative is the G1–G2 scheme [N. Schlünzen et al., Phys. Rev. Lett. 124, 076601 (2020)] which allows for NEGF simulations with time linear scaling, however, at the cost of large memory consumption. The reason is the need to store the two‐particle correlation function. This problem can be overcome for a number of approximations by reformulating the kinetic equations in terms of fluctuations – an approach that was developed, for classical systems, by Yu.L. Klimontovich [JETP 33, 982 (1957)]. Here, we present an overview of his ideas and extend them to quantum systems. In particular, we demonstrate that this quantum fluctuations approach can reproduce the nonequilibrium GW approximation [E. Schroedter et al., Cond. Matt. Phys. 25, 23401 (2022)] promising high accuracy at low computational cost which arises from an effective semiclassical stochastic sampling procedure. We also demonstrate how to extend the approach to the two‐time exchange‐correlation functions and the density response properties. [E. Schroedter et al., Phys. Rev. B 108, 205109 (2023)]. The results are equivalent to the Bethe–Salpeter equation for the two‐time exchange‐correlation function when the generalized Kadanoff‐Baym ansatz with Hartree‐Fock propagators is applied [E. Schroedter and M. Bonitz, phys. stat. sol. (b) 2024, 2300564].</abstract><cop>Weinheim</cop><pub>WILEY‐VCH Verlag GmbH &amp; Co. KGaA</pub><doi>10.1002/ctpp.202400015</doi><tpages>37</tpages><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 0863-1042
ispartof Contributions to plasma physics (1988), 2024-06, Vol.64 (5), p.n/a
issn 0863-1042
1521-3986
language eng
recordid cdi_proquest_journals_3072138008
source Wiley Journals
subjects Approximation
Bethe-Salpeter equation
Computational efficiency
Computer applications
Computing costs
Correlation
Dense plasmas
Fluctuations
G1–G2 scheme
Green's functions
Hydrodynamics
Kinetic equations
Kinetic theory
Molecular dynamics
nonequilibrium Green functions
quantum fluctuations
quantum kinetic equations
Quantum theory
Stochasticity
Ultracold atoms
title Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-04T09%3A40%3A56IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Classical%20and%20quantum%20theory%20of%20fluctuations%20for%20many%E2%80%90particle%20systems%20out%20of%20equilibrium&rft.jtitle=Contributions%20to%20plasma%20physics%20(1988)&rft.au=Schroedter,%20E.&rft.date=2024-06&rft.volume=64&rft.issue=5&rft.epage=n/a&rft.issn=0863-1042&rft.eissn=1521-3986&rft_id=info:doi/10.1002/ctpp.202400015&rft_dat=%3Cproquest_cross%3E3072138008%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=3072138008&rft_id=info:pmid/&rfr_iscdi=true