Electronic effects in the d-d spectrum of NiO

Chemical Physics Letters

Volumn 256, Issue 4-5, 1996, Pages 377-382

  Lorda, Empar ^a   Illas, Francesc ^a   Bagus, Paul S ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030570283     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00461-7     Document Type: Article

References (33)

1. [1] F.A. Cotton and G. Wilkinson, Advanced inorganic chemistry, 5th edn. (Wiley, New York, 1988).
2. [2] J.H. Van Vleck, J. Chem. Phys. 3 (1935) 807.
3. [3] A.J.H. Watchers and W. Nieuwpoort, Phys. Rev. B 5 (1972) 4291.
4. [4] P.S. Bagus and U. Wahlgren, Mol. Phys. 33 (1977) 641.
5. [5] G.T. Surratt and A.B. Kunz, Solid State Commun. 23 (1977) 555.
6. [6] R. Newman and R.M. Chrenko, Phys. Rev. 114 (1959) 1507.
7. [7] T. Oguchi, K. Terakura and A.R. Williams, Phys. Rev. B 28 (1983) 6443.
8. [8] A. Fujimori, F. Minami and S. Sugano, Phys. Rev. B 29 (1984) 5225.
9. [9] G.J.M. Janssen and W.C. Nieuwpoort, Phys. Rev. B 38 (1988) 3449.
10. [10] G.J.M. Janssen and W.C. Nieuwpoort, Intern. J. Quantum Chem. Quantum Chem. Symp. 22 (1988) 679.
11. [11] C. Sousa, J. Casanovas, F. Illas and J. Rubio, J. Comput. Chem. 14 (1993) 680.
12. [12] C. Sousa, F. Illas and G. Pacchioni, J. Chem. Phys. 99 (1993) 6819.
13. [13] P.S. Bagus, K. Hermann and C.W. Bauschlicher Jr., J. Chem. Phys. 80 (1984) 4378; 81 (1984) 1966.
14. [14] P.S. Bagus and F. Illas, J. Chem. Phys. 96 (1992) 8962.
15. [15] C. Sousa, T. Minerva, G. Pacchioni, P.S. Bagus and F. Parmigiani, J. Electron. Spectry. Relat. Phenom. 63 (1993) 189.
16. [16] C.W. Bauschlicher and P.S. Bagus, J. Chem. Phys. 81 (1984) 5889.
17. [17] G. Pacchioni, G. Cogliandro and P.S. Bagus, Intern. J. Quantum Chem. 42 (1992) 1115.
18. [18] J. Miralles, O. Castell, R. Caballol and J.P. Malrieu, Chem. Phys. 172 (1993) 33.
19. [19] J. Miralles, J.P. Daudey and R. Caballol, Chem. Phys. Letters 198 (1992) 555.
20. [20] O. Castell, R. Caballol, R. Subra and A. Grand, J. Phys. Chem. 99 (1995) 154.
21. [21] K. Handrick, J.P, Malrieu, O. Castell, J. Chem. Phys. 3 (1994) 101.
22. [22] F. Illas, J. Casanovas, M.A. Garcia-Bach, R. Caballol and O. Castell, Phys. Rev. Letters 71 (1993) 3549.
23. [23] J. Casanovas, J. Rubio and F. Illas, in: New challenges in computational quantum chemistry, eds. R. Broer, P.J.C. Aerts and P.S. Bagus (Groningen, 1994) pp. 214-226.
24. [24] J. Casanovas and F. Illas, J. Chem. Phys. 100 (1994) 8257.
25. [25] J. Casanovas and F. Illas, J. Chem. Phys. 101 (1994) 7683.
26. [26] J.P. Malrieu, J. Chem. Phys. 47 (1967) 4555.
27. [27] B. Huron, P. Rancurel and J.P. Malrieu, J. Chem. Phys. 75 (1973) 5745.
28. [28] S. Evangelisti, J.P. Daudey and J.P. Malrieu, Chem. Phys. Letters 75 (1983) 91.
29. [29] F. Illas, J. Rubio, J.M. Ricart and P.S. Bagus, J. Chem. Phys. 95 (1991) 1877.
30. [30] A. Povill, J. Rubio and F. Illas, Theoret. Chim. Acta 82 (1992) 229.
31. [31] P.S. Bagus, F. Illas, C. Sousa and G. Pacchioni, in: Fundamental material science, Vol. I. Electronic properties of solids using cluster methods, ed. T.A. Kaplan (Plenum Press, New York, 1995), p. 93.
32. [32] V. Luaña, M. Bermejo, M. Flórez, J.M. Recio and L. Pueyo, J. Chem. Phys. 90 (1989) 6409; V. Luaña and L. Pueyo, Phys. Rev. B 39 (1989) 11093; 41 (1990) 3800.
33. [32] V. Luaña, M. Bermejo, M. Flórez, J.M. Recio and L. Pueyo, J. Chem. Phys. 90 (1989) 6409; V. Luaña and L. Pueyo, Phys. Rev. B 39 (1989) 11093; 41 (1990) 3800.