Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations
Identifieur interne : 001679 ( Istex/Corpus ); précédent : 001678; suivant : 001680Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations
Auteurs : S. Wilson ; I. Huba ; P. Mach ; J. Pittner ; P. RskySource :
- Progress in Theoretical Chemistry and Physics [ 1567-7354 ]
Abstract
Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.
Url:
DOI: 10.1007/978-94-017-0635-3_5
Links to Exploration step
ISTEX:DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3CLe document en format XML
<record><TEI wicri:istexFullTextTei="biblStruct"><teiHeader><fileDesc><titleStmt><title xml:lang="en">Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title><author><name sortKey="Wilson, S" sort="Wilson, S" uniqKey="Wilson S" first="S." last="Wilson">S. Wilson</name><affiliation><mods:affiliation>Rutherford Appleton Laboratory, OX14 1TF, Chilton, Oxfordshire, England</mods:affiliation></affiliation></author><author><name sortKey="Huba, I" sort="Huba, I" uniqKey="Huba I" first="I." last="Huba">I. Huba</name><affiliation><mods:affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</mods:affiliation></affiliation></author><author><name sortKey="Mach, P" sort="Mach, P" uniqKey="Mach P" first="P." last="Mach">P. Mach</name><affiliation><mods:affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</mods:affiliation></affiliation></author><author><name sortKey="Pittner, J" sort="Pittner, J" uniqKey="Pittner J" first="J." last="Pittner">J. Pittner</name><affiliation><mods:affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</mods:affiliation></affiliation></author><author><name sortKey=" Rsky, P" sort=" Rsky, P" uniqKey=" Rsky P" first="P." last=" Rsky">P. Rsky</name><affiliation><mods:affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</mods:affiliation></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">ISTEX</idno><idno type="RBID">ISTEX:DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3C</idno><date when="2003" year="2003">2003</date><idno type="doi">10.1007/978-94-017-0635-3_5</idno><idno type="url">https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/fulltext.pdf</idno><idno type="wicri:Area/Istex/Corpus">001679</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Corpus" wicri:corpus="ISTEX">001679</idno></publicationStmt><sourceDesc><biblStruct><analytic><title level="a" type="main" xml:lang="en">Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title><author><name sortKey="Wilson, S" sort="Wilson, S" uniqKey="Wilson S" first="S." last="Wilson">S. Wilson</name><affiliation><mods:affiliation>Rutherford Appleton Laboratory, OX14 1TF, Chilton, Oxfordshire, England</mods:affiliation></affiliation></author><author><name sortKey="Huba, I" sort="Huba, I" uniqKey="Huba I" first="I." last="Huba">I. Huba</name><affiliation><mods:affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</mods:affiliation></affiliation></author><author><name sortKey="Mach, P" sort="Mach, P" uniqKey="Mach P" first="P." last="Mach">P. Mach</name><affiliation><mods:affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</mods:affiliation></affiliation></author><author><name sortKey="Pittner, J" sort="Pittner, J" uniqKey="Pittner J" first="J." last="Pittner">J. Pittner</name><affiliation><mods:affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</mods:affiliation></affiliation></author><author><name sortKey=" Rsky, P" sort=" Rsky, P" uniqKey=" Rsky P" first="P." last=" Rsky">P. Rsky</name><affiliation><mods:affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</mods:affiliation></affiliation></author></analytic><monogr></monogr><series><title level="s" type="main" xml:lang="en">Progress in Theoretical Chemistry and Physics</title><idno type="ISSN">1567-7354</idno><idno type="eISSN">2215-0129</idno><idno type="ISSN">1567-7354</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">1567-7354</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</div></front></TEI><istex><corpusName>springer-ebooks</corpusName><author><json:item><name>S. Wilson</name><affiliations><json:string>Rutherford Appleton Laboratory, OX14 1TF, Chilton, Oxfordshire, England</json:string></affiliations></json:item><json:item><name>I. Hubač</name><affiliations><json:string>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</json:string></affiliations></json:item><json:item><name>P. Mach</name><affiliations><json:string>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</json:string></affiliations></json:item><json:item><name>J. Pittner</name><affiliations><json:string>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</json:string></affiliations></json:item><json:item><name>P. Čársky</name><affiliations><json:string>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</json:string></affiliations></json:item></author><arkIstex>ark:/67375/HCB-XNPL4LMQ-9</arkIstex><language><json:string>eng</json:string></language><originalGenre><json:string>OriginalPaper</json:string></originalGenre><abstract>Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</abstract><qualityIndicators><score>8.452</score><pdfWordCount>11721</pdfWordCount><pdfCharCount>74211</pdfCharCount><pdfVersion>1.4</pdfVersion><pdfPageCount>47</pdfPageCount><pdfPageSize>439.37 x 666.142 pts</pdfPageSize><refBibsNative>false</refBibsNative><abstractWordCount>121</abstractWordCount><abstractCharCount>951</abstractCharCount><keywordCount>0</keywordCount></qualityIndicators><title>Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title><chapterId><json:string>5</json:string><json:string>Chap5</json:string></chapterId><genre><json:string>conference</json:string></genre><serie><title>Progress in Theoretical Chemistry and Physics</title><language><json:string>unknown</json:string></language><copyrightDate>2003</copyrightDate><issn><json:string>1567-7354</json:string></issn><eissn><json:string>2215-0129</json:string></eissn><volume>Part II</volume><editor><json:item><name>W. N. Lipscomb</name><affiliations><json:string>Harvard University, Cambridge, MA, USA</json:string></affiliations></json:item><json:item><name>J. Maruani</name><affiliations><json:string>Laboratoire de Chimie Physique, Paris, France</json:string></affiliations></json:item><json:item><name>S. Wilson</name><affiliations><json:string>Rutherford Appleton Laboratory, Oxfordshire, UK</json:string></affiliations></json:item></editor></serie><host><title>Advanced Topics in Theoretical Chemical Physics</title><language><json:string>unknown</json:string></language><copyrightDate>2003</copyrightDate><doi><json:string>10.1007/978-94-017-0635-3</json:string></doi><issn><json:string>1567-7354</json:string></issn><eissn><json:string>2215-0129</json:string></eissn><eisbn><json:string>978-94-017-0635-3</json:string></eisbn><bookId><json:string>978-94-017-0635-3</json:string></bookId><isbn><json:string>978-90-481-6401-1</json:string></isbn><volume>12</volume><pages><first>71</first><last>117</last></pages><genre><json:string>book-series</json:string></genre><editor><json:item><name>Jean Maruani</name><affiliations><json:string>Laboratoire de Chimie Physique, Université Pierre et Marie Curie, Paris, France</json:string></affiliations></json:item><json:item><name>Roland Lefebvre</name><affiliations><json:string>Laboratoire de Photophysique Moléculaire, Université Paris-Sud, Orsay, France</json:string></affiliations></json:item><json:item><name>Erkki J. Brändas</name><affiliations><json:string>Department of Quantum Chemistry, University of Uppsala, Sweden</json:string></affiliations></json:item></editor><subject><json:item><value>Chemistry and Materials Science</value></json:item><json:item><value>Chemistry</value></json:item><json:item><value>Physical Chemistry</value></json:item></subject></host><ark><json:string>ark:/67375/HCB-XNPL4LMQ-9</json:string></ark><publicationDate>2003</publicationDate><copyrightDate>2003</copyrightDate><doi><json:string>10.1007/978-94-017-0635-3_5</json:string></doi><id>DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3C</id><score>1</score><fulltext><json:item><extension>pdf</extension><original>true</original><mimetype>application/pdf</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/fulltext.pdf</uri></json:item><json:item><extension>zip</extension><original>false</original><mimetype>application/zip</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/bundle.zip</uri></json:item><istex:fulltextTEI uri="https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/fulltext.tei"><teiHeader><fileDesc><titleStmt><title level="a" type="main" xml:lang="en">Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title></titleStmt><publicationStmt><authority>ISTEX</authority><availability><licence>Springer Science+Business Media Dordrecht</licence></availability><date when="2003">2003</date></publicationStmt><notesStmt><note type="conference" source="proceedings" scheme="https://content-type.data.istex.fr/ark:/67375/XTP-BFHXPBJJ-3">conference</note><note type="publication-type" subtype="book-series" scheme="https://publication-type.data.istex.fr/ark:/67375/JMC-0G6R5W5T-Z">book-series</note></notesStmt><sourceDesc><biblStruct><analytic><title level="a" type="main" xml:lang="en">Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title><author><persName><forename type="first">S.</forename><surname>Wilson</surname></persName><affiliation><orgName type="institution">Rutherford Appleton Laboratory</orgName><address><settlement>Chilton, Oxfordshire</settlement><postCode>OX14 1TF</postCode><country key=""></country></address></affiliation></author><author><persName><forename type="first">I.</forename><surname>Hubač</surname></persName><affiliation><orgName type="department">Department of Chemical Physics, Faculty of Mathematics and Physics</orgName><orgName type="institution">Comenius University</orgName><address><postCode>842 15</postCode><settlement>Bratislava</settlement><country key="SK">SLOVAKIA</country></address></affiliation></author><author><persName><forename type="first">P.</forename><surname>Mach</surname></persName><affiliation><orgName type="department">Department of Chemical Physics, Faculty of Mathematics and Physics</orgName><orgName type="institution">Comenius University</orgName><address><postCode>842 15</postCode><settlement>Bratislava</settlement><country key="SK">SLOVAKIA</country></address></affiliation></author><author><persName><forename type="first">J.</forename><surname>Pittner</surname></persName><affiliation><orgName type="department">J. Heyrovský Institute of Physical Chemistry</orgName><orgName type="institution">Academy of Sciences of the Czech Republic</orgName><address><street>Dolejškova 3</street><postCode>18223</postCode><settlement>Prague 8</settlement><country key="CZ">CZECH REPUBLIC Czech Republic</country></address></affiliation></author><author><persName><forename type="first">P.</forename><surname>Čársky</surname></persName><affiliation><orgName type="department">J. Heyrovský Institute of Physical Chemistry</orgName><orgName type="institution">Academy of Sciences of the Czech Republic</orgName><address><street>Dolejškova 3</street><postCode>18223</postCode><settlement>Prague 8</settlement><country key="CZ">CZECH REPUBLIC Czech Republic</country></address></affiliation></author><idno type="istex">DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3C</idno><idno type="ark">ark:/67375/HCB-XNPL4LMQ-9</idno><idno type="DOI">10.1007/978-94-017-0635-3_5</idno></analytic><monogr><title level="m" type="main">Advanced Topics in Theoretical Chemical Physics</title><title level="m" type="part">Electronic Structure of Molecular Systems</title><idno type="DOI">10.1007/978-94-017-0635-3</idno><idno type="book-id">978-94-017-0635-3</idno><idno type="ISBN">978-90-481-6401-1</idno><idno type="eISBN">978-94-017-0635-3</idno><idno type="chapter-id">Chap5</idno><idno type="part-id">Part2</idno><editor><persName><forename type="first">Jean</forename><surname>Maruani</surname></persName><affiliation><orgName type="department">Laboratoire de Chimie Physique</orgName><orgName type="institution">Université Pierre et Marie Curie</orgName><address><settlement>Paris</settlement><country key="FR">FRANCE</country></address></affiliation></editor><editor><persName><forename type="first">Roland</forename><surname>Lefebvre</surname></persName><affiliation><orgName type="department">Laboratoire de Photophysique Moléculaire</orgName><orgName type="institution">Université Paris-Sud</orgName><address><settlement>Orsay</settlement><country key="FR">FRANCE</country></address></affiliation></editor><editor><persName><forename type="first">Erkki</forename><forename type="first">J.</forename><surname>Brändas</surname></persName><affiliation><orgName type="department">Department of Quantum Chemistry</orgName><orgName type="institution">University of Uppsala</orgName><address><country key="SE">SWEDEN</country></address></affiliation></editor><imprint><biblScope unit="vol">12</biblScope><biblScope unit="page" from="71">71</biblScope><biblScope unit="page" to="117">117</biblScope><biblScope unit="chapter-count">20</biblScope><biblScope unit="part-chapter-count">5</biblScope></imprint></monogr><series><title level="s" type="main" xml:lang="en">Progress in Theoretical Chemistry and Physics</title><editor><persName><forename type="first">W.</forename><forename type="first">N.</forename><surname>Lipscomb</surname></persName><affiliation><orgName type="institution">Harvard University</orgName><address><settlement>Cambridge</settlement><region>MA</region><country key="US">UNITED STATES</country></address></affiliation></editor><editor><persName><forename type="first">J.</forename><surname>Maruani</surname></persName><affiliation><orgName type="institution">Laboratoire de Chimie Physique</orgName><address><settlement>Paris</settlement><country key="FR">FRANCE</country></address></affiliation></editor><editor><persName><forename type="first">S.</forename><surname>Wilson</surname></persName><affiliation><orgName type="institution">Rutherford Appleton Laboratory</orgName><address><settlement>Oxfordshire</settlement><country key="GB">UNITED KINGDOM</country></address></affiliation></editor><idno type="pISSN">1567-7354</idno><idno type="eISSN">2215-0129</idno><idno type="seriesID">6464</idno></series></biblStruct></sourceDesc></fileDesc><profileDesc><abstract xml:lang="en"><head>Abstract</head><p>Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, <hi rend="italic">a posteriori</hi> corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</p></abstract><textClass ana="subject"><keywords scheme="book-subject-collection"><list><label>SUCO11644</label><item><term>Chemistry and Materials Science</term></item></list></keywords></textClass><textClass ana="subject"><keywords scheme="book-subject"><list><label>SCC</label><item><term type="Primary">Chemistry</term></item><label>SCC21001</label><item><term type="Secondary" subtype="priority-1">Physical Chemistry</term></item></list></keywords></textClass><langUsage><language ident="EN"></language></langUsage></profileDesc></teiHeader></istex:fulltextTEI><json:item><extension>txt</extension><original>false</original><mimetype>text/plain</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/fulltext.txt</uri></json:item></fulltext><metadata><istex:metadataXml wicri:clean="corpus springer-ebooks not found" wicri:toSee="no header"><istex:xmlDeclaration>version="1.0" encoding="UTF-8"</istex:xmlDeclaration><istex:docType PUBLIC="-//Springer-Verlag//DTD A++ V2.4//EN" URI="http://devel.springer.de/A++/V2.4/DTD/A++V2.4.dtd" name="istex:docType"></istex:docType><istex:document><Publisher><PublisherInfo><PublisherName>Springer Netherlands</PublisherName><PublisherLocation>Dordrecht</PublisherLocation><PublisherImprintName>Springer</PublisherImprintName></PublisherInfo><Series><SeriesInfo SeriesType="Series" TocLevels="0"><SeriesID>6464</SeriesID><SeriesPrintISSN>1567-7354</SeriesPrintISSN><SeriesElectronicISSN>2215-0129</SeriesElectronicISSN><SeriesTitle Language="En">Progress in Theoretical Chemistry and Physics</SeriesTitle></SeriesInfo><SeriesHeader><EditorGroup><Editor AffiliationIDS="Aff1"><EditorName DisplayOrder="Western"><GivenName>W.</GivenName><GivenName>N.</GivenName><FamilyName>Lipscomb</FamilyName></EditorName></Editor><Editor AffiliationIDS="Aff2"><EditorName DisplayOrder="Western"><GivenName>J.</GivenName><FamilyName>Maruani</FamilyName></EditorName></Editor><Editor AffiliationIDS="Aff3"><EditorName DisplayOrder="Western"><GivenName>S.</GivenName><FamilyName>Wilson</FamilyName></EditorName></Editor><Affiliation ID="Aff1"><OrgName>Harvard University</OrgName><OrgAddress><City>Cambridge</City><State>MA</State><Country>USA</Country></OrgAddress></Affiliation><Affiliation ID="Aff2"><OrgName>Laboratoire de Chimie Physique</OrgName><OrgAddress><City>Paris</City><Country>France</Country></OrgAddress></Affiliation><Affiliation ID="Aff3"><OrgName>Rutherford Appleton Laboratory</OrgName><OrgAddress><City>Oxfordshire</City><Country>UK</Country></OrgAddress></Affiliation></EditorGroup></SeriesHeader><Book Language="En"><BookInfo BookProductType="Proceedings" ContainsESM="No" Language="En" MediaType="eBook" NumberingStyle="Unnumbered" OutputMedium="All" TocLevels="0"><BookID>978-94-017-0635-3</BookID><BookTitle>Advanced Topics in Theoretical Chemical Physics</BookTitle><BookVolumeNumber>12</BookVolumeNumber><BookSequenceNumber>12</BookSequenceNumber><BookDOI>10.1007/978-94-017-0635-3</BookDOI><BookTitleID>106600</BookTitleID><BookPrintISBN>978-90-481-6401-1</BookPrintISBN><BookElectronicISBN>978-94-017-0635-3</BookElectronicISBN><BookChapterCount>20</BookChapterCount><BookCopyright><CopyrightHolderName>Springer Science+Business Media Dordrecht</CopyrightHolderName><CopyrightYear>2003</CopyrightYear></BookCopyright><BookSubjectGroup><BookSubject Code="SCC" Type="Primary">Chemistry</BookSubject><BookSubject Code="SCC21001" Priority="1" Type="Secondary">Physical Chemistry</BookSubject><SubjectCollection Code="SUCO11644">Chemistry and Materials Science</SubjectCollection></BookSubjectGroup><BookContext><SeriesID>6464</SeriesID></BookContext></BookInfo><BookHeader><EditorGroup><Editor AffiliationIDS="Aff4"><EditorName DisplayOrder="Western"><GivenName>Jean</GivenName><FamilyName>Maruani</FamilyName></EditorName><Role>Director of Research at CNRS, President of CMOA</Role></Editor><Editor AffiliationIDS="Aff5"><EditorName DisplayOrder="Western"><GivenName>Roland</GivenName><FamilyName>Lefebvre</FamilyName></EditorName></Editor><Editor AffiliationIDS="Aff6"><EditorName DisplayOrder="Western"><GivenName>Erkki</GivenName><GivenName>J.</GivenName><FamilyName>Brändas</FamilyName></EditorName></Editor><Affiliation ID="Aff4"><OrgDivision>Laboratoire de Chimie Physique</OrgDivision><OrgName>Université Pierre et Marie Curie</OrgName><OrgAddress><City>Paris</City><Country>France</Country></OrgAddress></Affiliation><Affiliation ID="Aff5"><OrgDivision>Laboratoire de Photophysique Moléculaire</OrgDivision><OrgName>Université Paris-Sud</OrgName><OrgAddress><City>Orsay</City><Country>France</Country></OrgAddress></Affiliation><Affiliation ID="Aff6"><OrgDivision>Department of Quantum Chemistry</OrgDivision><OrgName>University of Uppsala</OrgName><OrgAddress><Country>Sweden</Country></OrgAddress></Affiliation></EditorGroup></BookHeader><Part ID="Part2"><PartInfo TocLevels="0"><PartID>2</PartID><PartNumber>Part II</PartNumber><PartSequenceNumber>2</PartSequenceNumber><PartTitle>Electronic Structure of Molecular Systems</PartTitle><PartChapterCount>5</PartChapterCount><PartContext><SeriesID>6464</SeriesID><BookID>978-94-017-0635-3</BookID><BookTitle>Advanced Topics in Theoretical Chemical Physics</BookTitle></PartContext></PartInfo><Chapter ID="Chap5" Language="En"><ChapterInfo ChapterType="OriginalPaper" ContainsESM="No" Language="En" NumberingStyle="Unnumbered" OutputMedium="All" TocLevels="0"><ChapterID>5</ChapterID><ChapterDOI>10.1007/978-94-017-0635-3_5</ChapterDOI><ChapterSequenceNumber>5</ChapterSequenceNumber><ChapterTitle Language="En">Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</ChapterTitle><ChapterFirstPage>71</ChapterFirstPage><ChapterLastPage>117</ChapterLastPage><ChapterCopyright><CopyrightHolderName>Springer Science+Business Media Dordrecht</CopyrightHolderName><CopyrightYear>2003</CopyrightYear></ChapterCopyright><ChapterHistory><RegistrationDate><Year>2013</Year><Month>1</Month><Day>8</Day></RegistrationDate></ChapterHistory><ChapterGrants Type="Regular"><MetadataGrant Grant="OpenAccess"></MetadataGrant><AbstractGrant Grant="OpenAccess"></AbstractGrant><BodyPDFGrant Grant="Restricted"></BodyPDFGrant><BodyHTMLGrant Grant="Restricted"></BodyHTMLGrant><BibliographyGrant Grant="Restricted"></BibliographyGrant><ESMGrant Grant="Restricted"></ESMGrant></ChapterGrants><ChapterContext><SeriesID>6464</SeriesID><PartID>2</PartID><BookID>978-94-017-0635-3</BookID><BookTitle>Advanced Topics in Theoretical Chemical Physics</BookTitle></ChapterContext></ChapterInfo><ChapterHeader><AuthorGroup><Author AffiliationIDS="Aff7"><AuthorName DisplayOrder="Western"><GivenName>S.</GivenName><FamilyName>Wilson</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff8"><AuthorName DisplayOrder="Western"><GivenName>I.</GivenName><FamilyName>Hubač</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff8"><AuthorName DisplayOrder="Western"><GivenName>P.</GivenName><FamilyName>Mach</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff9"><AuthorName DisplayOrder="Western"><GivenName>J.</GivenName><FamilyName>Pittner</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff9"><AuthorName DisplayOrder="Western"><GivenName>P.</GivenName><FamilyName>Čársky</FamilyName></AuthorName></Author><Affiliation ID="Aff7"><OrgName>Rutherford Appleton Laboratory</OrgName><OrgAddress><City>Chilton, Oxfordshire</City><Postcode>OX14 1TF</Postcode><Country>England</Country></OrgAddress></Affiliation><Affiliation ID="Aff8"><OrgDivision>Department of Chemical Physics, Faculty of Mathematics and Physics</OrgDivision><OrgName>Comenius University</OrgName><OrgAddress><Postcode>842 15</Postcode><City>Bratislava</City><Country>Slovakia</Country></OrgAddress></Affiliation><Affiliation ID="Aff9"><OrgDivision>J. Heyrovský Institute of Physical Chemistry</OrgDivision><OrgName>Academy of Sciences of the Czech Republic</OrgName><OrgAddress><Street>Dolejškova 3</Street><Postcode>18223</Postcode><City>Prague 8</City><Country>Czech Republic</Country></OrgAddress></Affiliation></AuthorGroup><Abstract ID="Abs1" Language="En" OutputMedium="All"><Heading>Abstract</Heading><Para>Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, <Emphasis Type="Italic">a posteriori</Emphasis> corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</Para></Abstract></ChapterHeader><NoBody></NoBody></Chapter></Part></Book></Series></Publisher></istex:document></istex:metadataXml><mods version="3.6"><titleInfo lang="en"><title>Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title></titleInfo><titleInfo type="alternative" contentType="CDATA"><title>Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations</title></titleInfo><name type="personal"><namePart type="given">S.</namePart><namePart type="family">Wilson</namePart><affiliation>Rutherford Appleton Laboratory, OX14 1TF, Chilton, Oxfordshire, England</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">I.</namePart><namePart type="family">Hubač</namePart><affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">P.</namePart><namePart type="family">Mach</namePart><affiliation>Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15, Bratislava, Slovakia</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">J.</namePart><namePart type="family">Pittner</namePart><affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">P.</namePart><namePart type="family">Čársky</namePart><affiliation>J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic</affiliation><role><roleTerm type="text">author</roleTerm></role></name><typeOfResource>text</typeOfResource><genre displayLabel="OriginalPaper" authority="ISTEX" authorityURI="https://content-type.data.istex.fr" type="conference" valueURI="https://content-type.data.istex.fr/ark:/67375/XTP-BFHXPBJJ-3">conference</genre><originInfo><publisher>Springer Netherlands</publisher><place><placeTerm type="text">Dordrecht</placeTerm></place><dateIssued encoding="w3cdtf">2003</dateIssued><copyrightDate encoding="w3cdtf">2003</copyrightDate></originInfo><language><languageTerm type="code" authority="rfc3066">en</languageTerm><languageTerm type="code" authority="iso639-2b">eng</languageTerm></language><abstract lang="en">Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like equation in Brillouin-Wigner form. Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst the Lippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</abstract><relatedItem type="host"><titleInfo><title>Advanced Topics in Theoretical Chemical Physics</title></titleInfo><name type="personal"><namePart type="given">Jean</namePart><namePart type="family">Maruani</namePart><affiliation>Laboratoire de Chimie Physique, Université Pierre et Marie Curie, Paris, France</affiliation><role><roleTerm type="text">editor</roleTerm></role><description>Director of Research at CNRS, President of CMOA</description></name><name type="personal"><namePart type="given">Roland</namePart><namePart type="family">Lefebvre</namePart><affiliation>Laboratoire de Photophysique Moléculaire, Université Paris-Sud, Orsay, France</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><name type="personal"><namePart type="given">Erkki</namePart><namePart type="given">J.</namePart><namePart type="family">Brändas</namePart><affiliation>Department of Quantum Chemistry, University of Uppsala, Sweden</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><genre type="book-series" authority="ISTEX" authorityURI="https://publication-type.data.istex.fr" valueURI="https://publication-type.data.istex.fr/ark:/67375/JMC-0G6R5W5T-Z">book-series</genre><originInfo><publisher>Springer</publisher><copyrightDate encoding="w3cdtf">2003</copyrightDate><issuance>monographic</issuance></originInfo><subject><genre>Book-Subject-Collection</genre><topic authority="SpringerSubjectCodes" authorityURI="SUCO11644">Chemistry and Materials Science</topic></subject><subject><genre>Book-Subject-Group</genre><topic authority="SpringerSubjectCodes" authorityURI="SCC">Chemistry</topic><topic authority="SpringerSubjectCodes" authorityURI="SCC21001">Physical Chemistry</topic></subject><identifier type="DOI">10.1007/978-94-017-0635-3</identifier><identifier type="ISBN">978-90-481-6401-1</identifier><identifier type="eISBN">978-94-017-0635-3</identifier><identifier type="ISSN">1567-7354</identifier><identifier type="eISSN">2215-0129</identifier><identifier type="BookTitleID">106600</identifier><identifier type="BookID">978-94-017-0635-3</identifier><identifier type="BookChapterCount">20</identifier><identifier type="BookVolumeNumber">12</identifier><identifier type="BookSequenceNumber">12</identifier><identifier type="PartChapterCount">5</identifier><part><date>2003</date><detail type="part"><title>Part II: Electronic Structure of Molecular Systems</title></detail><detail type="volume"><number>12</number><caption>vol.</caption></detail><extent unit="pages"><start>71</start><end>117</end></extent></part><recordInfo><recordOrigin>Springer Science+Business Media Dordrecht, 2003</recordOrigin></recordInfo></relatedItem><relatedItem type="series"><titleInfo><title>Progress in Theoretical Chemistry and Physics</title></titleInfo><name type="personal"><namePart type="given">W.</namePart><namePart type="given">N.</namePart><namePart type="family">Lipscomb</namePart><affiliation>Harvard University, Cambridge, MA, USA</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><name type="personal"><namePart type="given">J.</namePart><namePart type="family">Maruani</namePart><affiliation>Laboratoire de Chimie Physique, Paris, France</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><name type="personal"><namePart type="given">S.</namePart><namePart type="family">Wilson</namePart><affiliation>Rutherford Appleton Laboratory, Oxfordshire, UK</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><originInfo><publisher>Springer</publisher><copyrightDate encoding="w3cdtf">2003</copyrightDate><issuance>serial</issuance></originInfo><identifier type="ISSN">1567-7354</identifier><identifier type="eISSN">2215-0129</identifier><identifier type="SeriesID">6464</identifier><part><detail type="volume"><number>Part II</number><caption>vol.</caption></detail></part><recordInfo><recordOrigin>Springer Science+Business Media Dordrecht, 2003</recordOrigin></recordInfo></relatedItem><identifier type="istex">DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3C</identifier><identifier type="ark">ark:/67375/HCB-XNPL4LMQ-9</identifier><identifier type="DOI">10.1007/978-94-017-0635-3_5</identifier><identifier type="ChapterID">5</identifier><identifier type="ChapterID">Chap5</identifier><accessCondition type="use and reproduction" contentType="copyright">Springer Science+Business Media Dordrecht, 2003</accessCondition><recordInfo><recordContentSource authority="ISTEX" authorityURI="https://loaded-corpus.data.istex.fr" valueURI="https://loaded-corpus.data.istex.fr/ark:/67375/XBH-RLRX46XW-4">springer</recordContentSource><recordOrigin>Springer Science+Business Media Dordrecht, 2003</recordOrigin></recordInfo></mods><json:item><extension>json</extension><original>false</original><mimetype>application/json</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/record.json</uri></json:item></metadata><annexes><json:item><extension>xml</extension><original>true</original><mimetype>application/xml</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-XNPL4LMQ-9/annexes.xml</uri></json:item></annexes></istex></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/H2N2V1/Data/Istex/Corpus
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 001679 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Istex/Corpus/biblio.hfd -nk 001679 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Sante
|area= H2N2V1
|flux= Istex
|étape= Corpus
|type= RBID
|clé= ISTEX:DDE6B97AB6ABF9A387E3F0109E2B9A44895F9B3C
|texte= Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations
}}
| This area was generated with Dilib version V0.6.33. |  |