The Hubbard model for alternant and nonalternant systems
dc.contributor.author | Lee, Stephen | en_US |
dc.date.accessioned | 2010-05-06T23:12:30Z | |
dc.date.available | 2010-05-06T23:12:30Z | |
dc.date.issued | 1989-03-01 | en_US |
dc.identifier.citation | Lee, 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.uri | https://hdl.handle.net/2027.42/71102 | |
dc.description.abstract | In 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.extent | 3102 bytes | |
dc.format.extent | 573986 bytes | |
dc.format.mimetype | text/plain | |
dc.format.mimetype | application/pdf | |
dc.publisher | The American Institute of Physics | en_US |
dc.rights | © The American Institute of Physics | en_US |
dc.title | The Hubbard model for alternant and nonalternant systems | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/71102/2/JCPSA6-90-5-2732-1.pdf | |
dc.identifier.doi | 10.1063/1.455920 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_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.citedreference | C. A. Coulson and G. S. Rushbrooke, Proc. Chambridge Philos. Soc. 36, 193 (1940). | en_US |
dc.identifier.citedreference | J. K. Burdett and S. Lee, J. Am. Chem. Soc. 107, 3050 (1985). | en_US |
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.citedreference | But 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.citedreference | For 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.citedreference | W. 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.citedreference | E. H. Lieb and F. Y. Wu, Phys. Rev. Lett. 20, 1445 (1986). | en_US |
dc.identifier.citedreference | J. E. Hirsch, Rev. Phys. B 31, 4403 (1985). | en_US |
dc.owningcollname | Physics, Department of |
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