Theoretical structure of the low lying electronic states of yttrium fluoride YF

Chemical Physics

Volumn 315, Issue 1-2, 2005, Pages 183-192

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

^a UNIVERSITÉ LYON 1   (France)

^b BEIRUT ARAB UNIVERSITY   (Lebanon)

Author keywords

Ab initio calculation; Electronic structure of YF; Spin orbit effect calculation

Indexed keywords

EID: 23044499959     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.03.024     Document Type: Article

References (28)

1. H. Fahs, A.R. Allouche, M. Korek, and M. Aubert-Frecon J. Chem. Phys. 117 2002 3715
2. F. Taher-Mansour, A.R. Allouche, and M. Aubert-Frecon J. Mol. Spectrosc. 221 2003 1
3. H. Fahs, M. Korek, A.R. Allouche, and M. Aubert-Frecon Chem. Phys. 299 2004 97
4. S. Abdul-Al, M. Korek, A.R. Allouche, and M. Aubert-Frecon Chem. Phys. 308 2004 1
5. R.F. Barrow, and W.J.M. Gissane Proc. Phys. Soc. (London) 84 1964 615
6. R.F. Barrow, M.W. Bastin, D.L.G. Moore, and C.J. Pott Nature 215 1967 1072
7. E.A. Shenyavskaya, and B.S. Ryabov J. Mol. Spectrosc. 63 1976 23
8. E.A. Shenyavskaya, and L. Gurvish J. Mol. Spectrosc. 68 1977 41
9. D. Fischell, H.C. Brayman, and T.A. Cool J. Chem. Phys. 73 1980 4260
10. C.E. Hamilton, M.L. Lesiecki, L.J. Allamandola, and J.W. Nibler J. Chem. Phys. 76 1982 189
11. J. Shirley, Chris Suirlock, and Timothy Steimle J. Chem. Phys. 93 1990 8580
12. L.A. Kaledin, and E.A. Shenyavskaya Mol. Phys. 70 1990 107
13. L.A. Kaledin, and E.A. Shenyavskaya Mol. Phys. 72 1991 1203
14. J.E. Shirley, W.L. Barclay Jr., L.M. Ziurys, and T.C. Steimle Chem. Phys. Lett. 183 1991 363
15. J.E. Shirley, W.L. Barclay Jr., L.M. Ziurys, and T.C. Steimle Chem. Phys. Lett. 191 1992 378
16. Leonid A. Kaledin, John E. McCord, Michael C. Heaven, and Richard F. Barrow J. Mol. Spectrosc. 169 1995 253
17. K.A. Walker, and M.C. Gerry J. Mol. Spectrosc. 198 1999 183
18. Stephen R. Langhoff, Charles W. Bauschlicher Jr., and Harry Partridge J. Chem. Phys. 89 1988 396
19. Rydberg 5, taken from the library of the MOLPRO package
20. S. Huzinaga, and B. Miguel Chem. Phys. Lett. 175 1990 289
21. S. Huzinaga, and M. Klobukowski Chem. Phys. Lett. 212 1993 260
22. D.L. Hildenbrand, and K.H. Lau J. Chem. Phys. 102 1995 3769
23. J.W.H. Leung, F.C.Y. Hung, and A.S.C. Cheung Chem. Phys. Lett. 363 2002 117
24. D.S. Rubinoff, C.J. Evans, and M.C.L. Gerry J. Mol. Spectrosc. 218 2003 169
25. C.E. Moore Atomic energy levels NBS circular No. 467 1958 US Govt. Printing Office Washington, DC
26. 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
27. GABEDIT, a graphical user interface for the use of MOLOPRO available at the website: http://lasim.univ-lyon1.fr/allouche/gabedit
28. R.J. LeRoy, Level7: A computer program for solving the radial Schödinger equation for bound and quasibound levels, Chemical Research Report No. CP-642R