Optimal parametrisation of the Pariser-Parr-Pople Model for benzene and biphenyl

Chemical Physics Letters

Volumn 294, Issue 4-5, 1998, Pages 305-313

  Bursill, Robert J ^a   Castleton, Christopher ^b   Barford, William ^b  

^a UNIVERSITY OF NEW SOUTH WALES   (Australia)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000916841     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00903-8     Document Type: Article

References (21)

1. Pariser R., Parr R.G. J. Chem. Phys. 21:1953;446.
2. Pople J.A. Trans. Faraday Soc. 42:1953;1375.
3. Ohno K. Theor. Chim. Acta. 2:1964;219.
4. Nishimoto K., Mataga N. Z. Phys. Chem. 12:1957;335.
5. Bendazzoli G.L., Evangelsti S., Gagliardi L. Int. J. Quant. Chem. 51:1994;13.
6. Warshel A., Karplus M. J. Am. Chem. Soc. 94:1972;5612.
7. Martin C.H., Freed K.F. J. Chem. Phys. 101:1994;5929.
8. Ramasesha S., Albert I.D.L., Sinha B. Mol. Phys. 72:1991;537.
9. Soos Z.G., Ramasesha S., Galvão D.S., Etemad S. Phys. Rev. B. 47:1993;1742.
10. Lorentzon J., Malmqvist P., Fülscher M., Roos B.O. Theor. Chim. Acta. 91:1995;91.
11. Hiraya A., Shobatake K. J. Chem. Phys. 94:1991;7700.
12. Lassettre E.N., Skerbele A., Dillon M.A., Roos K.J. J. Chem. Phys. 48:1967;5066.
13. Wilkinson P.G. Can. J. Phys. 34:1956;596.
14. Doering J.P. J. Chem. Phys. 51:1967;2866.
15. Rubio M., Merchán M., Ortí E., Roos B.O. Chem. Phys. Lett. 234:1995;375.
16. Dick B., Hohlneichler G. Chem. Phys. 94:1985;131.
17. McLaughlin T.G., Clark L.B. Chem. Phys. 31:1978;11.
18. Hochstrasser R.M., McAlpine R.D., Whiteman J.D. J. Chem. Phys. 58:1973;5078.
19. Swiderek P., Michaud M., Hohlneicher G., Sanche L. Chem. Phys. Lett. 187:1991;583.
20. Sagiv J., Yogev A., Mazur Y. J. Am. Chem. Soc. 99:1977;6861.
21. Y. Anusooya, S.K. Pati, S. Ramasesha, Symmetrized DMRG studies of the properties of Low-lying states of poly-para-phenylene (PPP) system, Preprint.