Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions
All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; re...
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| Veröffentlicht in: | Journal of physical and chemical reference data 1993-01, Vol.22 (1), p.87-112 |
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| creator | Stwalley, William C. Zemke, Warren T. |
| description | All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the X 1Σ+, A 1Σ+, and B 1Π states are tabulated. Potential energy curves (RKR, IPA, and hybrid) for the X 1Σ+, A 1Σ+, and B 1Π states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D
0 and D
e
values tabulated for X 1Σ+, A 1Σ+, and B
1Π states. Accurate electronic structure calculations (Hartree Fock or better) on this ‘‘workbench of theoretical chemistry’’ are listed and described briefly; all excited electronic states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Adiabatic corrections to the Born–Oppenheimer approximation are also reviewed. Calculations on LiH+ and LiH− are also listed and described briefly. |
| doi_str_mv | 10.1063/1.555936 |
| format | Article |
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0 and D
e
values tabulated for X 1Σ+, A 1Σ+, and B
1Π states. Accurate electronic structure calculations (Hartree Fock or better) on this ‘‘workbench of theoretical chemistry’’ are listed and described briefly; all excited electronic states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Adiabatic corrections to the Born–Oppenheimer approximation are also reviewed. Calculations on LiH+ and LiH− are also listed and described briefly.</description><identifier>ISSN: 0047-2689</identifier><identifier>EISSN: 1529-7845</identifier><identifier>DOI: 10.1063/1.555936</identifier><identifier>CODEN: JPCRBU</identifier><language>eng</language><publisher>Melville, NY: American Institute of Physics</publisher><subject>664400 -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-) ; ALKALI METAL COMPOUNDS ; ALKALI METAL ISOTOPES ; ATOMIC AND MOLECULAR PHYSICS ; BORN-OPPENHEIMER APPROXIMATION ; CALCULATION METHODS ; CHARGED PARTICLES ; DATA ; DISSOCIATION ENERGY ; ELECTRONIC STRUCTURE ; ENERGY ; Exact sciences and technology ; EXPERIMENTAL DATA ; HARTREE-FOCK METHOD ; HYDRIDES ; HYDROGEN COMPOUNDS ; INFORMATION ; IONS ; ISOTOPES ; LASER SPECTROSCOPY ; LITHIUM COMPOUNDS ; LITHIUM HYDRIDES ; LITHIUM IONS ; LITHIUM ISOTOPES ; Molecular properties and interactions with photons ; Molecular spectra ; NUMERICAL DATA 664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-) ; Physics ; POTENTIAL ENERGY ; SPECTROSCOPY ; THEORETICAL DATA</subject><ispartof>Journal of physical and chemical reference data, 1993-01, Vol.22 (1), p.87-112</ispartof><rights>American Institute of Physics for the National Institute of Standards and Technology</rights><rights>1993 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c417t-f98057dd6d3a6ca2946328e01996ee78c014de6a84019a2852fdd77a0582fdb13</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,885,4024,27923,27924,27925</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=4699158$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/6609913$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Stwalley, William C.</creatorcontrib><creatorcontrib>Zemke, Warren T.</creatorcontrib><title>Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions</title><title>Journal of physical and chemical reference data</title><description>All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the X 1Σ+, A 1Σ+, and B 1Π states are tabulated. Potential energy curves (RKR, IPA, and hybrid) for the X 1Σ+, A 1Σ+, and B 1Π states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D
0 and D
e
values tabulated for X 1Σ+, A 1Σ+, and B
1Π states. Accurate electronic structure calculations (Hartree Fock or better) on this ‘‘workbench of theoretical chemistry’’ are listed and described briefly; all excited electronic states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Adiabatic corrections to the Born–Oppenheimer approximation are also reviewed. Calculations on LiH+ and LiH− are also listed and described briefly.</description><subject>664400 -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)</subject><subject>ALKALI METAL COMPOUNDS</subject><subject>ALKALI METAL ISOTOPES</subject><subject>ATOMIC AND MOLECULAR PHYSICS</subject><subject>BORN-OPPENHEIMER APPROXIMATION</subject><subject>CALCULATION METHODS</subject><subject>CHARGED PARTICLES</subject><subject>DATA</subject><subject>DISSOCIATION ENERGY</subject><subject>ELECTRONIC STRUCTURE</subject><subject>ENERGY</subject><subject>Exact sciences and technology</subject><subject>EXPERIMENTAL DATA</subject><subject>HARTREE-FOCK METHOD</subject><subject>HYDRIDES</subject><subject>HYDROGEN COMPOUNDS</subject><subject>INFORMATION</subject><subject>IONS</subject><subject>ISOTOPES</subject><subject>LASER SPECTROSCOPY</subject><subject>LITHIUM COMPOUNDS</subject><subject>LITHIUM HYDRIDES</subject><subject>LITHIUM IONS</subject><subject>LITHIUM ISOTOPES</subject><subject>Molecular properties and interactions with photons</subject><subject>Molecular spectra</subject><subject>NUMERICAL DATA 664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)</subject><subject>Physics</subject><subject>POTENTIAL ENERGY</subject><subject>SPECTROSCOPY</subject><subject>THEORETICAL DATA</subject><issn>0047-2689</issn><issn>1529-7845</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1993</creationdate><recordtype>article</recordtype><recordid>eNp90E1LAzEQBuAgCtYq-BOCeNDD1mR383UUv1po8VA9h5hkaWS7WZKs0H9v6kovgqcJw5N3mAHgEqMZRrS6wzNCiKjoEZhgUoqC8ZocgwlCNStKysUpOIvxEyHEOC8nYLXurU7BR-37HVSdgesUBp2GYKFvYNpYuHRp44YtnO9McMbCR6eS3zoNV761emht_Pm38F08ByeNaqO9-K1T8P789PYwL5avL4uH-2Wha8xS0QiOCDOGmkpRrUpR06rkFmEhqLWMa4RrY6nidW6pkpOyMYYxhQjPrw9cTcHVmOtjcjJql6zeaN91eRdJKRICVxndjEjn9WKwjeyD26qwkxjJ_a0kluOtMr0eaa-iVm0TVKddPPia5kDCM7sd2X6iSs53B_LlwyFO9qb5z_4Z_w2_tYM9</recordid><startdate>199301</startdate><enddate>199301</enddate><creator>Stwalley, William C.</creator><creator>Zemke, Warren T.</creator><general>American Institute of Physics</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>199301</creationdate><title>Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions</title><author>Stwalley, William C. ; Zemke, Warren T.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c417t-f98057dd6d3a6ca2946328e01996ee78c014de6a84019a2852fdd77a0582fdb13</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1993</creationdate><topic>664400 -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)</topic><topic>ALKALI METAL COMPOUNDS</topic><topic>ALKALI METAL ISOTOPES</topic><topic>ATOMIC AND MOLECULAR PHYSICS</topic><topic>BORN-OPPENHEIMER APPROXIMATION</topic><topic>CALCULATION METHODS</topic><topic>CHARGED PARTICLES</topic><topic>DATA</topic><topic>DISSOCIATION ENERGY</topic><topic>ELECTRONIC STRUCTURE</topic><topic>ENERGY</topic><topic>Exact sciences and technology</topic><topic>EXPERIMENTAL DATA</topic><topic>HARTREE-FOCK METHOD</topic><topic>HYDRIDES</topic><topic>HYDROGEN COMPOUNDS</topic><topic>INFORMATION</topic><topic>IONS</topic><topic>ISOTOPES</topic><topic>LASER SPECTROSCOPY</topic><topic>LITHIUM COMPOUNDS</topic><topic>LITHIUM HYDRIDES</topic><topic>LITHIUM IONS</topic><topic>LITHIUM ISOTOPES</topic><topic>Molecular properties and interactions with photons</topic><topic>Molecular spectra</topic><topic>NUMERICAL DATA 664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)</topic><topic>Physics</topic><topic>POTENTIAL ENERGY</topic><topic>SPECTROSCOPY</topic><topic>THEORETICAL DATA</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Stwalley, William C.</creatorcontrib><creatorcontrib>Zemke, Warren T.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>Journal of physical and chemical reference data</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Stwalley, William C.</au><au>Zemke, Warren T.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions</atitle><jtitle>Journal of physical and chemical reference data</jtitle><date>1993-01</date><risdate>1993</risdate><volume>22</volume><issue>1</issue><spage>87</spage><epage>112</epage><pages>87-112</pages><issn>0047-2689</issn><eissn>1529-7845</eissn><coden>JPCRBU</coden><abstract>All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the X 1Σ+, A 1Σ+, and B 1Π states are tabulated. Potential energy curves (RKR, IPA, and hybrid) for the X 1Σ+, A 1Σ+, and B 1Π states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D
0 and D
e
values tabulated for X 1Σ+, A 1Σ+, and B
1Π states. Accurate electronic structure calculations (Hartree Fock or better) on this ‘‘workbench of theoretical chemistry’’ are listed and described briefly; all excited electronic states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Adiabatic corrections to the Born–Oppenheimer approximation are also reviewed. Calculations on LiH+ and LiH− are also listed and described briefly.</abstract><cop>Melville, NY</cop><pub>American Institute of Physics</pub><doi>10.1063/1.555936</doi><tpages>26</tpages></addata></record> |
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| ispartof | Journal of physical and chemical reference data, 1993-01, Vol.22 (1), p.87-112 |
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| source | EZB-FREE-00999 freely available EZB journals; Free Full-Text Journals in Chemistry |
| subjects | 664400 -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-) ALKALI METAL COMPOUNDS ALKALI METAL ISOTOPES ATOMIC AND MOLECULAR PHYSICS BORN-OPPENHEIMER APPROXIMATION CALCULATION METHODS CHARGED PARTICLES DATA DISSOCIATION ENERGY ELECTRONIC STRUCTURE ENERGY Exact sciences and technology EXPERIMENTAL DATA HARTREE-FOCK METHOD HYDRIDES HYDROGEN COMPOUNDS INFORMATION IONS ISOTOPES LASER SPECTROSCOPY LITHIUM COMPOUNDS LITHIUM HYDRIDES LITHIUM IONS LITHIUM ISOTOPES Molecular properties and interactions with photons Molecular spectra NUMERICAL DATA 664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-) Physics POTENTIAL ENERGY SPECTROSCOPY THEORETICAL DATA |
| title | Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions |
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