Theoretical electronic structure of the lowest-lying states of the YI molecule

Chemical Physics

Volumn 308, Issue 1-2, 2005, Pages 1-6

  Abdul Al, S ^a   Allouche, A R ^a   Korek, M ^b   Aubert Frecon M ^a  

^a UNIVERSITÉ LYON 1   (France)

^b BEIRUT ARAB UNIVERSITY   (Lebanon)

Author keywords

[No Author keywords available]

Indexed keywords

YTTRIUM;

ACCELERATION; ACCURACY; ARTICLE; DATA ANALYSIS; DIELECTRIC CONSTANT; ELECTRIC POTENTIAL; ELECTRONICS; ELECTROSTIMULATION; EMPIRICISM; ENERGY YIELD; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR WEIGHT; NANOPARTICLE; SPECTROSCOPY; STRUCTURE ANALYSIS; TECHNIQUE;

EID: 8144225704     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.07.032     Document Type: Article

References (54)

1. M.A Lebeault-Dorget, Ch. Effantin, A. Bernard, J. d'Incan, J. Chevaleyre, and E.A. Shenyavskaya J. Mol. Spectrosc. 163 1994 276
2. E.A. Shenyasvskaya, J. Vergès, A. Topouzkhanian, M.A. Lebeault-Dorget, J. d'Incan, Ch. Effantin, and A. Bernard J. Mol. Spectrosc. 164 1994 129
3. M.A. Lebeault-Dorget, Ch. Effantin, J. D'Incan, A. Bernard, E.A. Shenyavskaya, and J. Vergès J. Chem. Phys. 102 1995 708
4. F. Taher, Ch. Effantin, J. D'Incan, A. Bernard, J. Vergès, and E.A. Shenyasvskaya J. Phys. B 28 1995 L181
5. E.A. Shenyasvskaya, M.A. Lebeault-Dorget, Ch. Effantin, J. D'Incan, A. Bernard, and J. Vergès J. Mol. Spectrosc. 171 1995 309
6. F. Taher, Ch. Effantin, J. D'Incan, A. Bernard, J. Vergès, and E.A. Shenyasvskaya J. Mol. Spectrosc. 173 1995 62
7. E.A. Shenyasvskaya, Ch. Effantin, A. Bernard, J. Chevaleyre, J. d'Incan, A. Topouzkhanian, J. Vergès, and G. Wannous J. Phys. B 29 1996 L511
8. F. Taher, Ch. Effantin, A. Bernard, J. D'Incan, E.A. Shenyasvskaya, and J. Vergès J. Mol. Spectrosc. 179 1996 223
9. F. Taher, A. Bernard, Ch. Effantin, J. D'Incan, E.A. Shenyasvskaya, and J. Vergès J. Mol. Spectrosc. 179 1996 229
10. F. Taher, Ch. Effantin, A. Bernard, J. D'Incan, J. Vergès, and E.A. Shenyasvskaya J. Mol. Spectrosc. 184 1997 88
11. Ch. Effantin, E.A. Shenyasvskaya, J. d'Incan, A. Bernard, A. Topouzkhanian, and G. Wannous J. Mol. Spectrosc. 185 1997 249
12. F. Taher, Ch. Effantin, A. Bernard, J. D'Incan, and J. Vergès J. Mol. Spectrosc. 189 1998 220
13. G. Wannous, Ch. Effantin, A. Bernard, E.A. Shenyasvskaya, and A. Topouzkhanian J. Mol. Spectrosc. 198 1999 10
14. J. Vergès, Ch. Effantin, J. d'Incan, A. Bernard, and E.A. Shenyasvskaya J. Mol. Spectrosc. 198 1999 196
15. A. Bernard, C. Effantin, J. D'Incan, and J. Vergès J. Mol. Spectrosc. 202 2000 163
16. A. Bernard, C. Effantin, J. D'Incan, and J. Vergès J. Mol. Spectrosc. 204 2000 55
17. A. Bernard, C. Effantin, E.A. Shenyasvskaya, and J. d'Incan J. Mol. Spectrosc. 207 2001 211
18. A. Bernard, C. Effantin, J. Chevillard, and J. D'Incan J. Mol. Spectrosc. 215 2002 220
19. C. Effantin, J. d'Incan, and A. Bernard J. Mol. Spectrosc. 216 2002 166
20. K. Fahs, A.R. Allouche, M. Korek, and M. Aubert-Frécon J. Chem. Phys. 117 2002 3715
21. F. Taher-Mansour, A.R. Allouche, and M. Aubert-Frecon J. Mol. Spectrosc. 221 2003 1
22. H. Fahs, M. Korek, A.R. Allouche, and M. Aubert-Frécon Chem. Phys. 299 2004 97
23. E.A. Shenyasvskaya, and B.S. Ryabov J. Mol. Spectrosc. 63 1976 23
24. E.A. Shenyasvskaya, and L. Gurvich J. Mol. Spectrosc. 68 1977 41
25. D.R. Fischell, H.C. Brayman, and T.A. Cool J. Chem. Phys. 73 1980 4260
26. L.A. Kaledin, and E.A. Shenyasvskaya Mol. Phys. 70 1990 107
27. L.A. Kaledin, and E.A. Shenyasvskaya Mol. Phys. 72 1991 1203
28. J.E. Shirley, W.L. Barclay Jr., L.M. Ziurys, and T.C. Steimle Chem. Phys. Lett. 183 1991 363
29. J.E. Shirley, W.L. Barclay Jr., L.M. Ziurys, and T.C. Steimle Chem. Phys. Lett. 191 1992 378
30. L.A. Kaledin, J.E. McCord, M.C. Heaven, and R.F. Barrow J. Mol. Spectrosc. 169 1995 253
31. K.A. Walker, and M.C. Gerry J. Mol. Spectrosc. 198 1999 183
32. R. Gopal, L.K. Singh, and M.M. Joshi J. Mol. Spectrosc. 89 1981 15
33. J. Xin, G. Edvinsson, and L. Klynning J. Mol. Spectrosc. 148 1991 59
34. B. Simard, A.M. James, and P.A. Hackett J. Chem. Phys. 96 1992 2565
35. J. Xin, G. Edvinsson, L. Klynning, and P. Royen J. Mol. Spectrosc. 158 1993 14
36. K.D. Hensel, and M.C. Gerry J. Mol. Spectrosc. 166 1994 304
37. J. Xin, and L. Klynning J. Mol. Spectrosc. 175 1996 217
38. J. Xin, L. Klynning, and P. Royen J. Mol. Spectrosc. 176 1996 1
39. J.W.H. Leung, J. Dai, and A.S.-C. Cheung J. Mol. Spectrosc. 207 2001 124
40. R. Gopal J. Mol. Spectrosc. 186 1997 43
41. K.A. Walker, and M.C. Gerry J. Chem. Phys. 109 1998 5439
42. J.W.H. Leung, J. Dai, X. Wang, and A.S.-C. Cheung Phys. Chem. Chem. Phys. 3 2001 4262
43. J.W.H. Leung, and A.S.-C. Cheung Mol. Phys. 100 2002 2665
44. A. Bernard, S. Roux, and J. Vergès J. Mol. Spectrosc. 80 1980 374
45. A. Bernard, and R. Gravina Z. Naturforsch. A: Phys. Sci. 39 1984 27
46. L. Norman, C.J. Evans, and M.C. Gerry J. Mol. Spectrosc. 199 2000 311
47. J.W.H. Leung, F.C.-Y. Hung, and A.S.-C. Cheung Chem. Phys. Lett. 363 2002 117
48. S.R. Langhoff, Ch.W. Bauschlicher Jr., and H. Partridge J. Chem. Phys. 89 1988 396
49. Stuttgart pseudopotential (ECP46MDF) taken from MOLPRO
50. S. Huzinaga, and B. Miguel Chem. Phys. Lett. 175 1990 289
51. S. Huzinaga, and M. Klobukowski Chem. Phys. Lett. 212 1993 260
52. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, and H. Preuss Theor. Chim. Acta 77 1990 123
53. MOLPRO is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn,F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone, R. Tarroni,and T. Thorsteinsson
54. GABEDIT is a graphical user interface for the use of GAUSSIAN and MOLPRO available at our website. Available from http://lasim.univ-lyon1.fr/allouche/ gabedit