Information theory and Wigner crystallization: A model perspective
Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R. Benchmark quality calculations are performed to characterize this system via a...
Gespeichert in:
| Veröffentlicht in: | International journal of quantum chemistry 2021-04, Vol.121 (7), p.n/a |
|---|---|
| Hauptverfasser: | , , |
| 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 | 7 |
| container_start_page | |
| container_title | International journal of quantum chemistry |
| container_volume | 121 |
| creator | Thompson, David C. Anderson, James S. M. Sen, K. D. |
| description | Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R. Benchmark quality calculations are performed to characterize this system via a range of information measures as a function of the tunable parameter R, across the full electron correlation regime (low to high correlation; small R to large R). Both the Shannon information entropy and a statistical complexity measure provide quantitative insight regarding the onset of the formation of a “Wigner molecule” state for this system.
A number of information and local complexity measures are explored for the restricted Hartree‐Fock (RHF) solutions to the model system of two interacting electrons confined within an infinite spherical potential of radius R. |
| doi_str_mv | 10.1002/qua.26549 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2489116793</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2489116793</sourcerecordid><originalsourceid>FETCH-LOGICAL-c3329-c3fc661c55baf8d3c2a49fa797e49c54f3118ee2b6b2555cace7396c63330d243</originalsourceid><addsrcrecordid>eNp10E1LAzEQBuAgCtbqwX8Q8ORh23xn460WPwoFESx6C2k20S3bzTbZKuuvd-169TJzmGdm4AXgEqMJRohMd3szIYIzdQRGGCmZMYHfjsGon6FMCpSfgrOUNgghQYUcgdtF7UPcmrYMNWw_XIgdNHUBX8v32kVoY5daU1Xl90HcwBnchsJVsHExNc625ac7ByfeVMld_PUxWN3fvcwfs-XTw2I-W2aWUqL66q0Q2HK-Nj4vqCWGKW-kko4py5mnGOfOkbVYE865NdZJqoQVlFJUEEbH4Gq428Sw27vU6k3Yx7p_qQnLFcZCKtqr60HZGFKKzusmllsTO42R_o1I9xHpQ0S9nQ72q6xc9z_Uz6vZsPEDSMRoHw</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2489116793</pqid></control><display><type>article</type><title>Information theory and Wigner crystallization: A model perspective</title><source>Wiley Online Library All Journals</source><creator>Thompson, David C. ; Anderson, James S. M. ; Sen, K. D.</creator><creatorcontrib>Thompson, David C. ; Anderson, James S. M. ; Sen, K. D.</creatorcontrib><description>Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R. Benchmark quality calculations are performed to characterize this system via a range of information measures as a function of the tunable parameter R, across the full electron correlation regime (low to high correlation; small R to large R). Both the Shannon information entropy and a statistical complexity measure provide quantitative insight regarding the onset of the formation of a “Wigner molecule” state for this system.
A number of information and local complexity measures are explored for the restricted Hartree‐Fock (RHF) solutions to the model system of two interacting electrons confined within an infinite spherical potential of radius R.</description><identifier>ISSN: 0020-7608</identifier><identifier>EISSN: 1097-461X</identifier><identifier>DOI: 10.1002/qua.26549</identifier><language>eng</language><publisher>Hoboken, USA: John Wiley & Sons, Inc</publisher><subject>Chemistry ; Crystallization ; Entropy (Information theory) ; Information theory ; particles‐in‐a‐box ; Physical chemistry ; Quantum physics ; restricted Hartree‐Fock ; statistical complexity</subject><ispartof>International journal of quantum chemistry, 2021-04, Vol.121 (7), p.n/a</ispartof><rights>2020 Wiley Periodicals LLC</rights><rights>2021 Wiley Periodicals LLC.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3329-c3fc661c55baf8d3c2a49fa797e49c54f3118ee2b6b2555cace7396c63330d243</citedby><cites>FETCH-LOGICAL-c3329-c3fc661c55baf8d3c2a49fa797e49c54f3118ee2b6b2555cace7396c63330d243</cites><orcidid>0000-0002-4176-3560 ; 0000-0001-8050-3852</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fqua.26549$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fqua.26549$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,780,784,1417,27923,27924,45573,45574</link.rule.ids></links><search><creatorcontrib>Thompson, David C.</creatorcontrib><creatorcontrib>Anderson, James S. M.</creatorcontrib><creatorcontrib>Sen, K. D.</creatorcontrib><title>Information theory and Wigner crystallization: A model perspective</title><title>International journal of quantum chemistry</title><description>Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R. Benchmark quality calculations are performed to characterize this system via a range of information measures as a function of the tunable parameter R, across the full electron correlation regime (low to high correlation; small R to large R). Both the Shannon information entropy and a statistical complexity measure provide quantitative insight regarding the onset of the formation of a “Wigner molecule” state for this system.
A number of information and local complexity measures are explored for the restricted Hartree‐Fock (RHF) solutions to the model system of two interacting electrons confined within an infinite spherical potential of radius R.</description><subject>Chemistry</subject><subject>Crystallization</subject><subject>Entropy (Information theory)</subject><subject>Information theory</subject><subject>particles‐in‐a‐box</subject><subject>Physical chemistry</subject><subject>Quantum physics</subject><subject>restricted Hartree‐Fock</subject><subject>statistical complexity</subject><issn>0020-7608</issn><issn>1097-461X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp10E1LAzEQBuAgCtbqwX8Q8ORh23xn460WPwoFESx6C2k20S3bzTbZKuuvd-169TJzmGdm4AXgEqMJRohMd3szIYIzdQRGGCmZMYHfjsGon6FMCpSfgrOUNgghQYUcgdtF7UPcmrYMNWw_XIgdNHUBX8v32kVoY5daU1Xl90HcwBnchsJVsHExNc625ac7ByfeVMld_PUxWN3fvcwfs-XTw2I-W2aWUqL66q0Q2HK-Nj4vqCWGKW-kko4py5mnGOfOkbVYE865NdZJqoQVlFJUEEbH4Gq428Sw27vU6k3Yx7p_qQnLFcZCKtqr60HZGFKKzusmllsTO42R_o1I9xHpQ0S9nQ72q6xc9z_Uz6vZsPEDSMRoHw</recordid><startdate>20210405</startdate><enddate>20210405</enddate><creator>Thompson, David C.</creator><creator>Anderson, James S. M.</creator><creator>Sen, K. D.</creator><general>John Wiley & Sons, Inc</general><general>Wiley Subscription Services, Inc</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0002-4176-3560</orcidid><orcidid>https://orcid.org/0000-0001-8050-3852</orcidid></search><sort><creationdate>20210405</creationdate><title>Information theory and Wigner crystallization: A model perspective</title><author>Thompson, David C. ; Anderson, James S. M. ; Sen, K. D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3329-c3fc661c55baf8d3c2a49fa797e49c54f3118ee2b6b2555cace7396c63330d243</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemistry</topic><topic>Crystallization</topic><topic>Entropy (Information theory)</topic><topic>Information theory</topic><topic>particles‐in‐a‐box</topic><topic>Physical chemistry</topic><topic>Quantum physics</topic><topic>restricted Hartree‐Fock</topic><topic>statistical complexity</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Thompson, David C.</creatorcontrib><creatorcontrib>Anderson, James S. M.</creatorcontrib><creatorcontrib>Sen, K. D.</creatorcontrib><collection>CrossRef</collection><jtitle>International journal of quantum chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Thompson, David C.</au><au>Anderson, James S. M.</au><au>Sen, K. D.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Information theory and Wigner crystallization: A model perspective</atitle><jtitle>International journal of quantum chemistry</jtitle><date>2021-04-05</date><risdate>2021</risdate><volume>121</volume><issue>7</issue><epage>n/a</epage><issn>0020-7608</issn><eissn>1097-461X</eissn><abstract>Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R. Benchmark quality calculations are performed to characterize this system via a range of information measures as a function of the tunable parameter R, across the full electron correlation regime (low to high correlation; small R to large R). Both the Shannon information entropy and a statistical complexity measure provide quantitative insight regarding the onset of the formation of a “Wigner molecule” state for this system.
A number of information and local complexity measures are explored for the restricted Hartree‐Fock (RHF) solutions to the model system of two interacting electrons confined within an infinite spherical potential of radius R.</abstract><cop>Hoboken, USA</cop><pub>John Wiley & Sons, Inc</pub><doi>10.1002/qua.26549</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-4176-3560</orcidid><orcidid>https://orcid.org/0000-0001-8050-3852</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0020-7608 |
| ispartof | International journal of quantum chemistry, 2021-04, Vol.121 (7), p.n/a |
| issn | 0020-7608 1097-461X |
| language | eng |
| recordid | cdi_proquest_journals_2489116793 |
| source | Wiley Online Library All Journals |
| subjects | Chemistry Crystallization Entropy (Information theory) Information theory particles‐in‐a‐box Physical chemistry Quantum physics restricted Hartree‐Fock statistical complexity |
| title | Information theory and Wigner crystallization: A model perspective |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-09T09%3A17%3A22IST&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=Information%20theory%20and%20Wigner%20crystallization:%20A%20model%20perspective&rft.jtitle=International%20journal%20of%20quantum%20chemistry&rft.au=Thompson,%20David%20C.&rft.date=2021-04-05&rft.volume=121&rft.issue=7&rft.epage=n/a&rft.issn=0020-7608&rft.eissn=1097-461X&rft_id=info:doi/10.1002/qua.26549&rft_dat=%3Cproquest_cross%3E2489116793%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=2489116793&rft_id=info:pmid/&rfr_iscdi=true |