L. A. Curtiss, K. Raghavachari, P. C. Redfern, J. A. Pople, G. N. Merrill et al., (3) Density Functional Methods in Chemistry, 701, and references therein and references therein. (9) Gill, P. M. W, pp.17465-689, 1063.

H. J. Chermette, . Phys, S. Chem-humbel, P. C. Hiberty, I. Demachy et al., In Modern Electronic Structure Theory and Applications in Organic Chemistry, Chem. Phys. Lett. NJ J. Phys. Chem. J. Phys. Chem. A Chem. Phys, vol.100, issue.20816, pp.100-126, 1995.

D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart et al., (21) Perdew, 20) Perdew, pp.1200-1218, 1980.

S. Huber, K. P. Herzberg, G. Molecular, M. Spectra, I. Structure et al., Constants of Diatomic Molecules Photophysics and Photochemistry in the Vacuum UltraViolet, Chem. Phys. Lett. J. Chem. Phys. J. Chem. Soc., Faraday Trans. Chem. Phys. Lett. H. Chem. Phys. Lett. J. Phys. Chem, vol.117, issue.157, pp.9003-369, 1979.

E. J. Baerends and O. V. Gritsenko, (32) See, e.g, Acta J. Phys. Chem. AJ. Int. J. Quantum Chem, vol.81, issue.101 538333, pp.65-56, 1991.