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The Hubbard model for alternant and nonalternant systems

dc.contributor.authorLee, Stephenen_US
dc.date.accessioned2010-05-06T23:12:30Z
dc.date.available2010-05-06T23:12:30Z
dc.date.issued1989-03-01en_US
dc.identifier.citationLee, Stephen (1989). "The Hubbard model for alternant and nonalternant systems." The Journal of Chemical Physics 90(5): 2732-2740. <http://hdl.handle.net/2027.42/71102>en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/71102
dc.description.abstractIn this paper we consider the effects of two‐electron, one‐center interactions when added to the one‐electron, two‐center molecular orbital model. There are, therefore, two parameters considered: The standard Hückel β (two‐center, one‐electron) term and the Hubbard one‐center, two‐electron term U. It is shown how the change in the ground state as one changes the U/β ratio is highly dependent on the presence or absence of odd member rings.en_US
dc.format.extent3102 bytes
dc.format.extent573986 bytes
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dc.publisherThe American Institute of Physicsen_US
dc.rights© The American Institute of Physicsen_US
dc.titleThe Hubbard model for alternant and nonalternant systemsen_US
dc.typeArticleen_US
dc.subject.hlbsecondlevelPhysicsen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan, Ann Arbor, Michigan 48109en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/71102/2/JCPSA6-90-5-2732-1.pdf
dc.identifier.doi10.1063/1.455920en_US
dc.identifier.sourceThe Journal of Chemical Physicsen_US
dc.identifier.citedreference(a) D. J. Klein, C. J. Nelin, S. Alexander, and F. A. Matsen, J. Chem. Phys. 77, 3101 (1982); (b) D. J. Klein, J. Chem. Phys. 77, 3098 (1982).en_US
dc.identifier.citedreference(a) J. Hubbard, Proc. R. Soc. London Ser. A 276, 238 (1963); 829, 5410 (1984); (b) H. Shiba and P. Pincus, Phys. Rev. B 5, 1966 (1972); (c) D. R. Herrick, J. Chem. Phys. 74, 1239 (1981); D. R. Herrick and C.‐L. Liao, J. Chem. Phys. 75, 4485 (1981); (e) D. R. Herrick, Adv. Chem. Phys. 52, 1 (1983); (f) F. A. Matsen and T. L. Welsher, Int. J. Quantum Chem. 12, 985, 1001 (1977); (g) F. A. Matsen, Int. J. Quantum Chem. 43, 185 (1984).Also, it should be noted that the HD Hamiltonian arises asymptotically from the Hubbard Hamiltonian in second‐order preturbation where one considers the limit U/β≫1U∕β≫1 1.en_US
dc.identifier.citedreferenceC. A. Coulson and G. S. Rushbrooke, Proc. Chambridge Philos. Soc. 36, 193 (1940).en_US
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dc.identifier.citedreference(a) E. Lieb, T. Schultz, and D. Mattis, Ann. Phys. 16, 407 (1961); (b) E. Lieb and D. Mattis, J. Math. Phys. 3, 749 (1962).en_US
dc.identifier.citedreferenceBut see discussion on the errors involved in P. W. Anderson, Basic Notions of Condensed Matter of Physics (Benjamin, Menlo Park, CA), pp. 125–129.en_US
dc.identifier.citedreferenceFor a review of the effective Hamiltonian method, see P. J. Ellis and E. Osnes, Rev. Mod. Phys. 49, 777 (1977).A detailed analysis of thie higher order corrections to the spin Hamiltonian is given in J. P. Malrieu and D. Maynau, J. Am. Chem. Soc. 104, 3021, 3029 (1982).en_US
dc.identifier.citedreferenceW. T. Borden and E. R. Davidson, J. Am. Chem. Soc. 99, 4587 (1977).en_US
dc.identifier.citedreference(a) M. W. Whangbo, in Extended Linear Chain Compounds, Vol. 2, edited by J. S. Miller (Plenum, New York, 1982); (b) M. H. Whangbo, in Crystal Chemistry and Properties of Materials with Quasi One Dimensional Structures, edited by J. Rouxel (Reidel, Dordrecht, 1986).en_US
dc.identifier.citedreferenceE. H. Lieb and F. Y. Wu, Phys. Rev. Lett. 20, 1445 (1986).en_US
dc.identifier.citedreferenceJ. E. Hirsch, Rev. Phys. B 31, 4403 (1985).en_US
dc.owningcollnamePhysics, Department of


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