Page 132 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer

QUANTUM CHEMISTRY IN FRONT OF SYMMETRY BREAKINGS 117

12. M.B. Lepetit, J.P. Malrieu and G. Trinquier, Chem. Phys. 130, 229 (1989).
13. W.D. Laidig, P. Saxe and R.J. Bartlett, J. Chem. Phys. 86, 87 (1987).
14. M.B. Lepetit and J.P. Malrieu, J. Chem. Phys. 87, 5937 (1987).
15. K. Yamaguchi, Chem. Phys. Letters, 68, 477 (1979).
16. M. Bénard, J. Chem. Phys. 71, 2546 (1979).
17. R. Wiest and M. Bénard, Theoret. Chim. Acta, 66, 65 (1984).
18. M.M. Goodgame and W.A. Goddard, Phys. Rev. Letters, 48, 135 (1982);
J. Phys. Chem. 85, 215 (1981)
19. M.B. Lepetit and J.P. Malrieu, Chem. Phys. Letters, 169, 285 (1990).
20. R.J. Harrison and N.C. Handy, Chem. Phys. Letters, 98, 97 (1983) and
referencestherein.
21. G. Trinquier, private communication.
22. J. Cizek and J. Paldus, J. Chem. Phys. 47, 3976 (1967).
23. J. Paldus and J. Cizek, Phys. Rev. A 2, 2268 (1970).
24. M.H. McAdon and W.A. Goddard, J. Chem. Phys. 88, 277 (1988).
25. M.H. McAdon and W.A. Goddard, J. Phys. Chem. 92, 1352 (1988).
26. M.B. Lepetit, J.P. Malrieu and F. Spiegelmann, Phys. Rev. B 41, 8093
(1990).
27. M.H. McAdon and W.A. Goddard, Phys. Rev. Letters, 55, 2563 (1985).
28. M.B. Lepetit, E. Apra, J.P. Malrieu and R. Dovesi, Phys. Rev. B, 46, 12974
(1992).
29. R. Dovesi, C. Pisani, C. Roetti, M. Causa and V.R. Saunders, Crystal 88,
Program N°577, QCPE, Indiana University, Bloomington, 1989.
30. L.C. Snyder, J. Chem. Phys. 55, 95 (1971).
see also, P.S. Bagus and H.F. Schaefer, J. Chem. Phys. 56, 224 (1972).
31. A. Denis, J. Langlet and J.P. Malrieu, Theoret. Chim. Acta, 38, 49 (1975).
32. L.S. Cederbaum and W. Domcke, J. Chem. Phys. 66, 5084 (1977).
33. G. Durand, O.K. Kabajj, M.B. Lepetit, J.P. Malrieu, J. Marti, J. Phys. Chem.
96, 2162 (1992).
34. V. Bonacic-Koutecky, P. Bruckmann, J. Koutecky, C. Leforestier and L.
Salem, Angew. Chem. Inst. Ed. Engl. 14, 575, (1975); L. Salem and P.
Bruckmann, Nature (London) 258, 526 (1975).
35. For reviews see J.P. Malrieu. Theoret. Chim. Acta, 59, 281 (1981). and J.P.
Malrieu, I. Nebot-Gil and J. Sanchez-Marin, Pure & Appl. Chem. 56, 1241
(1984).
36. A.D, McLean, B.H. Lengsfield, J. Pacansky and Y. Ellinger, J. Chem. Phys. 83,
3567 (1985).
As other examples one may quote the symmetry-breaking ofthe CASSCF (4e in
4MO) calculation ofthe twisted excited state of ethylene (G. Trinquier and
J.P. Malrieu, in : "The structure of Double Bond". Patai ed., John Wiley (1990) p 1, or
the symmetry-breaking in electron transferproblems (A. Faradzed, M. Dupuis, E.
Clementi and A. Aviram, J. Amer. Chem. Soc. 112, 4206 (1992).
37. C.W. Bauschlicher, and S.R. Langhoff, J. Chem. Phys. 89, 4246 (1988)
38. A. Sanchez de Meras, M.B. Lepetit and J.P. Malrieu, Chem. Phys. Letters, 172,
163 (1990).
39. R. Krishnan, M.J. Frisch and J.A. Pople, J. Chem. Phys. 72, 4244 (1980).
40. M.R. Nyden and, G.A. Peterson, J. Chem. Phys. 14, 6312 (1981).
41. N.C. Handy, P.J. Knowles and K. Somasudram, Theoret. Chim. Acta, 68,87
(1985).
42. P.M.W. Gill and L. Radom, Chem. Phys. Letters, 132, 16 (1986).
43. M.B. Lepetit, M. Pelissier and J.P. Malrieu, J. Chem. Phys. 89, 998 (1989).