Ab initio systematic determination of the t-J effective Hamiltonian parameters for superconducting Cu-oxides

Chemical Physics Letters

Volumn 307, Issue 1-2, 1999, Pages 102-108

  Calzado, Carmen J ^a   Sanz, Javier Fdez ^a   Malrieu, Jean Paul ^b   Illas, Francesc ^c  

^a UNIVERSITY OF SEVILLE   (Spain)

^b Université Paul Sabatier   (France)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000568150     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00506-0     Document Type: Article

References (30)

1. Anderson P.W. Science. 235:1987;1196.
2. J.G. Bednorz, K.A. Müller (Eds.), Earlier and Recent Aspects of Superconductivity, Springer, Berlin, 1990.
3. E. Dagoto, in: E. Schachinger, H. Mitter, M. Sormann (Eds.), Recent Progress in Many Body Theories, vol. 4, Plenum, New York, 1995.
4. Emery V.J. Phys. Rev. Lett. 58:1987;2794.
5. Chen C.T., Sette F., Ma Y., Hybertsen M.S., Stechel E.B., Foulkes W.M.C., Schulter M., Cheong S.W., Cooper A.S., Rupp L.W., Batlogg B., Soo Y.L., Ming Z.H., Krol A., Kao Y.H. Phys. Rev. Lett. 66:1991;104.
6. Gunnarsson O., Allen J.W., Jepsen O., Fujiwara T., Andersen O.K., Olsen C.J., Maple M.B., Kang J.-S., Liu L.Z., Park J.-H., Anderson R.O., Ellis W.P., Liu R., Markert J.T., Dalichaouch Y., Shen Z.-X., Lindberg P.A.P., Wells B.O., Dessau D.S., Borg A., Lindau I., Spicer W.E. Phys. Rev. B. 41:1990;4811.
7. Zhang F.C., Rice T.M. Phys. Rev. B. 37:1988;3759.
8. Hybertsen M., Schlüter M., Christensen N.E. Phys. Rev. B. 39:1989;9028.
9. Emery V.J., Reiter G. Phys. Rev. B. 38:1988;4547.
10. Hybertsen M., Stechel E.B., Schlüter M., Jennison D.R. Phys. Rev. B. 41:1990;11068.
11. Singh R.P., Fleury P.A., Lyons K.B., Sulewski P.E. Phys. Rev. Lett. 62:1989;2736.
12. Aeppli G., Hayden S.M., Mook H.A., Fisk Z., Cheong S.W., Rytz D., Remeika J.P., Espinosa G.P., Cooper A.S. Phys. Rev. Lett. 62:1989;2052.
13. Emery V.J., Kivelson S.A., Zachar O. Phys. Rev. B. 56:1997;6120.
14. Ph. Durand, J.P. Malrieu, in: K.P. Lawley (Ed.), Advances in Chemistry and Physics; Ab Initio Methods in Quantum Chemistry, part I, Wiley, Chichester, 1987.
15. Miralles J., Daudey J.-P., Caballol R. Chem. Phys. Lett. 198:1992;555.
16. Sanz J.F., Malrieu J.P. J. Phys. Chem. 97:1993;99.
17. De Loth P., Cassoux P., Daudey J.P., Malrieu J.P. J. Am. Chem. Soc. 103:1981;4007.
18. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1984;270.
19. Stevens W.J., Basch H., Krauss M. J. Chem. Phys. 81:1984;6026.
20. Stevens W.J., Krauss M., Basch H., Jasien P.G. Can. J. Chem. 70:1992;612.
21. Illas F., Casanovas J., Garcia-Bach M.A., Caballol R., Castell O. Phys. Rev. Lett. 71:1993;3549.
22. Calzado C.J., Sanz J.F. J. Am. Chem. Soc. 120:1998;1051.
23. T.H. Dunning, in: H.F. Schaefer (Ed.), Modern Theoretical Chemistry, Plenum, New York, 1977.
24. Durand Ph., Barthelat J.C. Theor. Chim. Acta. 38:1975;283.
25. Casanovas J., Rubio J., Illas F. Phys. Rev. B. 53:1996;945.
26. Illas F., Moreira I.P.R., Graaf C., Castell O., Casanovas J. Phys. Rev. B. 56:1997;5069.
27. Van Oosten A.B., Broer R., Nieuwpoort W.C. Chem. Phys. Lett. 257:1996;207.
28. R.L. Martin, in: G. Pacchioni, P. Bagus, F. Parmigiani (Eds.), Cluster Models for Surface and Bulk Phenomena, Plenum, New York, 1992, p. 485.
29. Wang Y.J., Newton M.D., Davenport J.W. Phys. Rev. B. 46:1992;11935.
30. C.J. Calzado, J.F. Sanz, J.P. Malrieu (to be submitted).