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Deltafunction model for the helium dimer

dc.contributor.authorLohr, Lawrence L. Jr.en_US
dc.contributor.authorBlinder, S. M.en_US
dc.date.accessioned2006-04-28T16:34:14Z
dc.date.available2006-04-28T16:34:14Z
dc.date.issued1995-02-15en_US
dc.identifier.citationLohr, Lawrence L.; Blinder, S. M. (1995)."Deltafunction model for the helium dimer." International Journal of Quantum Chemistry 53(4): 413-418. <http://hdl.handle.net/2027.42/37981>en_US
dc.identifier.issn0020-7608en_US
dc.identifier.issn1097-461Xen_US
dc.identifier.urihttps://hdl.handle.net/2027.42/37981
dc.description.abstractThe helium dimer 4 He 2 has recently been detected, confirming earlier ab initio predictions of stability for a single bound state with binding energy of 1.310 mK. The predicted potential minimum is at 2.96 Å, with a radial distribution function peaking at 6.96 Å. We model this system using a Dirac bubble potential, which also admits just one bound j = 0 state. With the bubble located at 6.96 Å, an overlap of 0.9994 with the ab initio wave function is obtained. An average internuclear distance of 52.6 Å is calculated, in good agreement with the ab initio result. The root mean square deviation from the mean, 48.0 Å, indicates an enormous spread of the radial wave function. Also consistent with our model is the absence of bound states for the isotopic variants 3 He 4 He and 3 He 2 . Cross sections for helium-helium scattering are also computed, using both a partial-wave expansion and the Born approximation. General trends in the energy dependence of the total cross section are accounted for, in qualitative agreement with experimental results. © 1995 John Wiley & Sons, Inc.en_US
dc.format.extent324445 bytes
dc.format.extent3118 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.language.isoen_US
dc.publisherJohn Wiley & Sons, Inc.en_US
dc.subject.otherComputational Chemistry and Molecular Modelingen_US
dc.subject.otherAtomic, Molecular and Optical Physicsen_US
dc.titleDeltafunction model for the helium dimeren_US
dc.typeArticleen_US
dc.rights.robotsIndexNoFollowen_US
dc.subject.hlbsecondlevelChemical Engineeringen_US
dc.subject.hlbsecondlevelChemistryen_US
dc.subject.hlbsecondlevelMaterials Science and Engineeringen_US
dc.subject.hlbtoplevelEngineeringen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055en_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/37981/1/560530407_ftp.pdfen_US
dc.identifier.doihttp://dx.doi.org/10.1002/qua.560530407en_US
dc.identifier.sourceInternational Journal of Quantum Chemistryen_US
dc.owningcollnameInterdisciplinary and Peer-Reviewed


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