Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion
A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rot...
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| Veröffentlicht in: | Physical review letters 1991-02, Vol.66 (7), p.880-882 |
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| container_title | Physical review letters |
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| creator | BABB, J. F DALGARNO, A |
| description | A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rotation-vibration states {ital N}=1, {ital v}=4--8 are compared with experimental results. Previous adiabatic expectation values differ from the empirical values by about 600 kHz. Inclusion of the first-order corrections reduces the discrepancies to less than 9 kHz. |
| doi_str_mv | 10.1103/PhysRevLett.66.880 |
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F ; DALGARNO, A</creator><creatorcontrib>BABB, J. F ; DALGARNO, A</creatorcontrib><description>A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rotation-vibration states {ital N}=1, {ital v}=4--8 are compared with experimental results. Previous adiabatic expectation values differ from the empirical values by about 600 kHz. Inclusion of the first-order corrections reduces the discrepancies to less than 9 kHz.</description><identifier>ISSN: 0031-9007</identifier><identifier>EISSN: 1079-7114</identifier><identifier>DOI: 10.1103/PhysRevLett.66.880</identifier><identifier>PMID: 10043930</identifier><identifier>CODEN: PRLTAO</identifier><language>eng</language><publisher>Ridge, NY: American Physical Society</publisher><subject>ADIABATIC APPROXIMATION ; ATOMIC AND MOLECULAR PHYSICS ; CHARGED PARTICLES ; CORRECTIONS ; Corrections to electronic structure ; CORRELATIONS ; DATA ; Electronic structure of atoms, molecules and their ions: theory ; ENERGY LEVELS ; Exact sciences and technology ; EXCITED STATES ; HAMILTONIANS ; HYDROGEN IONS ; HYPERFINE STRUCTURE ; INFORMATION ; IONS ; MATHEMATICAL OPERATORS ; MOLECULAR IONS ; NUMERICAL DATA ; PERTURBATION THEORY ; Physics ; QUANTUM OPERATORS 640302 -- Atomic, Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory ; ROTATIONAL STATES ; THEORETICAL DATA ; VIBRATIONAL STATES</subject><ispartof>Physical review letters, 1991-02, Vol.66 (7), p.880-882</ispartof><rights>1991 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c360t-9ca6b7d75f8545e5f2a2f0e809f1a7159d7a010a352bed458cee0f3a833d60293</citedby><cites>FETCH-LOGICAL-c360t-9ca6b7d75f8545e5f2a2f0e809f1a7159d7a010a352bed458cee0f3a833d60293</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,2863,2864,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=19624865$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/10043930$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/5847441$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>BABB, J. F</creatorcontrib><creatorcontrib>DALGARNO, A</creatorcontrib><title>Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion</title><title>Physical review letters</title><addtitle>Phys Rev Lett</addtitle><description>A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rotation-vibration states {ital N}=1, {ital v}=4--8 are compared with experimental results. Previous adiabatic expectation values differ from the empirical values by about 600 kHz. Inclusion of the first-order corrections reduces the discrepancies to less than 9 kHz.</description><subject>ADIABATIC APPROXIMATION</subject><subject>ATOMIC AND MOLECULAR PHYSICS</subject><subject>CHARGED PARTICLES</subject><subject>CORRECTIONS</subject><subject>Corrections to electronic structure</subject><subject>CORRELATIONS</subject><subject>DATA</subject><subject>Electronic structure of atoms, molecules and their ions: theory</subject><subject>ENERGY LEVELS</subject><subject>Exact sciences and technology</subject><subject>EXCITED STATES</subject><subject>HAMILTONIANS</subject><subject>HYDROGEN IONS</subject><subject>HYPERFINE STRUCTURE</subject><subject>INFORMATION</subject><subject>IONS</subject><subject>MATHEMATICAL OPERATORS</subject><subject>MOLECULAR IONS</subject><subject>NUMERICAL DATA</subject><subject>PERTURBATION THEORY</subject><subject>Physics</subject><subject>QUANTUM OPERATORS 640302 -- Atomic, Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory</subject><subject>ROTATIONAL STATES</subject><subject>THEORETICAL DATA</subject><subject>VIBRATIONAL STATES</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1991</creationdate><recordtype>article</recordtype><recordid>eNpNkF1rFDEUhoNY2m3tH_BCBkHwZtaTyfellGqFBUvR65DNnHQjs8maZIT9947sgr06F-_zvnAeQt5SWFMK7NPj7lif8M8GW1tLudYaXpEVBWV6RSl_TVYAjPYGQF2R61p_AQAdpL4kVxSAM8NgRZ7uJ_St5NSn2U_oSufzfJhieu5i6toOu93xgCXEhF1tZfZtLtjlcI7Gkp8xdfu8rMzT0o45vSEXwU0Vb8_3hvz8cv_j7qHffP_67e7zpvdMQuuNd3KrRiWCFlygCIMbAqAGE6hTVJhROaDgmBi2OHKhPSIE5jRjo4TBsBvy_rSba4u2-tjQ73xOaXnICs0V53SBPp6gQ8m_Z6zN7mP1OE0uYZ6rpVqYQXNB1YIOJ9SXXGvBYA8l7l05Wgr2n3D7QriV0i7Cl9K78_683eP4onIyvAAfzoCr3k2huORj_c8ZOXAtBfsLOfKMDA</recordid><startdate>19910218</startdate><enddate>19910218</enddate><creator>BABB, J. F</creator><creator>DALGARNO, A</creator><general>American Physical Society</general><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>19910218</creationdate><title>Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion</title><author>BABB, J. F ; DALGARNO, A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c360t-9ca6b7d75f8545e5f2a2f0e809f1a7159d7a010a352bed458cee0f3a833d60293</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1991</creationdate><topic>ADIABATIC APPROXIMATION</topic><topic>ATOMIC AND MOLECULAR PHYSICS</topic><topic>CHARGED PARTICLES</topic><topic>CORRECTIONS</topic><topic>Corrections to electronic structure</topic><topic>CORRELATIONS</topic><topic>DATA</topic><topic>Electronic structure of atoms, molecules and their ions: theory</topic><topic>ENERGY LEVELS</topic><topic>Exact sciences and technology</topic><topic>EXCITED STATES</topic><topic>HAMILTONIANS</topic><topic>HYDROGEN IONS</topic><topic>HYPERFINE STRUCTURE</topic><topic>INFORMATION</topic><topic>IONS</topic><topic>MATHEMATICAL OPERATORS</topic><topic>MOLECULAR IONS</topic><topic>NUMERICAL DATA</topic><topic>PERTURBATION THEORY</topic><topic>Physics</topic><topic>QUANTUM OPERATORS 640302 -- Atomic, Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory</topic><topic>ROTATIONAL STATES</topic><topic>THEORETICAL DATA</topic><topic>VIBRATIONAL STATES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>BABB, J. F</creatorcontrib><creatorcontrib>DALGARNO, A</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>BABB, J. F</au><au>DALGARNO, A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion</atitle><jtitle>Physical review letters</jtitle><addtitle>Phys Rev Lett</addtitle><date>1991-02-18</date><risdate>1991</risdate><volume>66</volume><issue>7</issue><spage>880</spage><epage>882</epage><pages>880-882</pages><issn>0031-9007</issn><eissn>1079-7114</eissn><coden>PRLTAO</coden><abstract>A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rotation-vibration states {ital N}=1, {ital v}=4--8 are compared with experimental results. Previous adiabatic expectation values differ from the empirical values by about 600 kHz. Inclusion of the first-order corrections reduces the discrepancies to less than 9 kHz.</abstract><cop>Ridge, NY</cop><pub>American Physical Society</pub><pmid>10043930</pmid><doi>10.1103/PhysRevLett.66.880</doi><tpages>3</tpages></addata></record> |
| fulltext | fulltext |
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| ispartof | Physical review letters, 1991-02, Vol.66 (7), p.880-882 |
| issn | 0031-9007 1079-7114 |
| language | eng |
| recordid | cdi_osti_scitechconnect_5847441 |
| source | American Physical Society Journals |
| subjects | ADIABATIC APPROXIMATION ATOMIC AND MOLECULAR PHYSICS CHARGED PARTICLES CORRECTIONS Corrections to electronic structure CORRELATIONS DATA Electronic structure of atoms, molecules and their ions: theory ENERGY LEVELS Exact sciences and technology EXCITED STATES HAMILTONIANS HYDROGEN IONS HYPERFINE STRUCTURE INFORMATION IONS MATHEMATICAL OPERATORS MOLECULAR IONS NUMERICAL DATA PERTURBATION THEORY Physics QUANTUM OPERATORS 640302 -- Atomic, Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory ROTATIONAL STATES THEORETICAL DATA VIBRATIONAL STATES |
| title | Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion |
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