Resonances in photoabsorption: predissociation line shapes in the 3pπD¹Π(u)⁺ ← X¹Σ(g)⁺ system in H₂.
Identifieur interne : 000124 ( PubMed/Corpus ); précédent : 000123; suivant : 000125Resonances in photoabsorption: predissociation line shapes in the 3pπD¹Π(u)⁺ ← X¹Σ(g)⁺ system in H₂.
Auteurs : J Zs Mezei ; I F Schneider ; M. Glass-Maujean ; Ch JungenSource :
- The Journal of chemical physics [ 1089-7690 ] ; 2014.
Abstract
The predissociation of the 3pπD¹Π(u)⁺, v ≥ 3, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.
DOI: 10.1063/1.4891813
PubMed: 25134569
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Paris 06, UMR 8112, Laboratoire d'Etudes du Rayonnement et de la Matière en Astrophysique et Atmosphères, F-75005 Paris, France.</nlm:affiliation></affiliation></author><author><name sortKey="Jungen, Ch" sort="Jungen, Ch" uniqKey="Jungen C" first="Ch" last="Jungen">Ch Jungen</name><affiliation><nlm:affiliation>Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.</nlm:affiliation></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2014">2014</date><idno type="RBID">pubmed:25134569</idno><idno type="pmid">25134569</idno><idno type="doi">10.1063/1.4891813</idno><idno type="wicri:Area/PubMed/Corpus">000124</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Resonances in photoabsorption: predissociation line shapes in the 3pπD¹Π(u)⁺ ← X¹Σ(g)⁺ system in H₂.</title><author><name sortKey="Mezei, J Zs" sort="Mezei, J Zs" uniqKey="Mezei J" first="J Zs" last="Mezei">J Zs Mezei</name><affiliation><nlm:affiliation>Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.</nlm:affiliation></affiliation></author><author><name sortKey="Schneider, I F" sort="Schneider, I F" uniqKey="Schneider I" first="I F" last="Schneider">I F Schneider</name><affiliation><nlm:affiliation>Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France.</nlm:affiliation></affiliation></author><author><name sortKey="Glass Maujean, M" sort="Glass Maujean, M" uniqKey="Glass Maujean M" first="M" last="Glass-Maujean">M. Glass-Maujean</name><affiliation><nlm:affiliation>Sorbonne Universités, UPMC Univ. Paris 06, UMR 8112, Laboratoire d'Etudes du Rayonnement et de la Matière en Astrophysique et Atmosphères, F-75005 Paris, France.</nlm:affiliation></affiliation></author><author><name sortKey="Jungen, Ch" sort="Jungen, Ch" uniqKey="Jungen C" first="Ch" last="Jungen">Ch Jungen</name><affiliation><nlm:affiliation>Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.</nlm:affiliation></affiliation></author></analytic><series><title level="j">The Journal of chemical physics</title><idno type="eISSN">1089-7690</idno><imprint><date when="2014" type="published">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The predissociation of the 3pπD¹Π(u)⁺, v ≥ 3, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">25134569</PMID><DateCreated><Year>2014</Year><Month>8</Month><Day>19</Day></DateCreated><DateCompleted><Year>2015</Year><Month>05</Month><Day>21</Day></DateCompleted><DateRevised><Year>2014</Year><Month>8</Month><Day>19</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Electronic">1089-7690</ISSN><JournalIssue CitedMedium="Internet"><Volume>141</Volume><Issue>6</Issue><PubDate><Year>2014</Year><Month>Aug</Month><Day>14</Day></PubDate></JournalIssue><Title>The Journal of chemical physics</Title><ISOAbbreviation>J Chem Phys</ISOAbbreviation></Journal><ArticleTitle>Resonances in photoabsorption: predissociation line shapes in the 3pπD¹Π(u)⁺ ← X¹Σ(g)⁺ system in H₂.</ArticleTitle><Pagination><MedlinePgn>064305</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1063/1.4891813</ELocationID><Abstract><AbstractText>The predissociation of the 3pπD¹Π(u)⁺, v ≥ 3, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Mezei</LastName><ForeName>J Zs</ForeName><Initials>JZ</Initials><AffiliationInfo><Affiliation>Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Schneider</LastName><ForeName>I F</ForeName><Initials>IF</Initials><AffiliationInfo><Affiliation>Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Glass-Maujean</LastName><ForeName>M</ForeName><Initials>M</Initials><AffiliationInfo><Affiliation>Sorbonne Universités, UPMC Univ. Paris 06, UMR 8112, Laboratoire d'Etudes du Rayonnement et de la Matière en Astrophysique et Atmosphères, F-75005 Paris, France.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Jungen</LastName><ForeName>Ch</ForeName><Initials>Ch</Initials><AffiliationInfo><Affiliation>Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.</Affiliation></AffiliationInfo></Author></AuthorList><Language>ENG</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Chem Phys</MedlineTA><NlmUniqueID>0375360</NlmUniqueID><ISSNLinking>0021-9606</ISSNLinking></MedlineJournalInfo></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="entrez"><Year>2014</Year><Month>8</Month><Day>20</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2014</Year><Month>8</Month><Day>20</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2014</Year><Month>8</Month><Day>20</Day><Hour>6</Hour><Minute>1</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">25134569</ArticleId><ArticleId IdType="doi">10.1063/1.4891813</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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