Theoretical study of low lying electronic states of GdO

Molecular Physics

Volumn 101, Issue 1-2, 2003, Pages 117-123

  Sakai, Y ^a   Nakai, T ^a   Mogi, K ^a   Miyoshi, E ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; ELECTRONS; FLUORESCENCE; GADOLINIUM COMPOUNDS; GROUND STATE; LANTHANUM COMPOUNDS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY;

GADOLINIUM OXIDE; LANTHANIDE OXIDE; LASER-INDUCED FLUORESCENCE; MODEL CORE POTENTIAL METHOD; MULTIREFERENCE SINGLY AND DOUBLY EXCITED CONFIGURATION INTERACTION;

ELECTRONIC DENSITY OF STATES;

EID: 1542288066     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970210158759     Document Type: Article

References (28)

1. Balasubramanian, K., 1997. Relativistic Effects in Chemistry Part B 460New York:Wiley.
2. Huber, K. P., and Herzberg, G., 1979. Spectroscopic Constants of Diatomic Molecules New York:Van Nostrand.
3. Dolg, M., Stoll, H., Savin, A., and Preuss, H., 1989. Theoret Chim. Acta, 75:173
4. Dolg, M., Stoll, H., and Preuss, H., 1989. J. chem. Phys., 90:1730
5. Cundari, T. R., and Stevens, W. J., 1993. J. chem. Phys., 98:5555
6. Ross, R. B., Gayen, S., and Ermler, W. C., 1994. J. chem. Phys., 100:8145
7. Seijo, L., Barandiaran, Z., and Harguindey, E., 2001. J. chem. Phys., 114:118
8. Sakai, Y., Miyoshi, E., and Tatewaki, H., 1998. J. molec. Struct. Theochem, 451:143
9. Sakai, Y., and Huzinaga, S., 1982. J. chem. Phys., 76:2537
10. Sakai, Y., and Huzinaga, S., 1982. J. chem. Phys., 76:2552
11. Sakai, Y., Miyoshi, M., Klobukowski, M., and Huzinaga, S., 1987. J. comput. Chem., 8:226
12. Sakai, Y., Miyoshi, E., Klobukowski, M., and Huzinaga, S., 1987. J. comput. Chem., 8:256
13. Sakai, Y., Miyoshi, E., Klobukowski, M., and Huzinaga, S., 1997. J. chem. Phys., 106:8084
14. Miyoshi, E., Sakai, Y., Tanaka, K., and Masamura, M., 1998. J. molec. Struct. Theochem, 451:73
15. Cowan, R. D., and Griffin, D. C., 1976. J. opt. Soc. Amer., 66:1010
16. Carette, P., Hocquet, A., Douay, M., and Pinchemel, B., 1987. J. molec. Spectrosc., 124:243
17. Kotzian, M., Rösch, N., and Zerner, M. C., 1992. Theoret. Chim. Acta, 81:201
18. Dolg, M., Stoll, H., and Preuss, H., 1990. Chem. Phys. Lett., 174:208
19. Dunning, T. H., Jr. 1989. J. chem. Phys., 90:1007
20. Huzinaga, S., Andzelm, J., Klobukowski, M., Radzio-Andzelm, E., Sakai, Y., and Tatewaki, H., 1984. Gaussian Basis Sets for Molecular Calculations Amsterdam:Elsevier.
21. Davidson, E. R., 1975. J. comput. Phys., 17:87
22. Lengsfield, B. H., III. 1980. J. chem. Phys., 73:382
23. Liu, B., and Yoshimine, M., 1981. J. chem. Phys., 74:612
24. Lengsfield, B. H., III and Liu, B., 1981. J. chem. Phys., 75:478
25. Yadav, B. R., Rai, S. B., and Rai, D. K., 1981. J. molec. Spectrosc., 89:1
26. Andersson, K., Blomberg, M. R. A., Fulscher, M. P., Karlstrom, G., Lindh, R., Malmqvist, P.-A., Neogrady, P., Olsen, J., Roos, B. O., Sadlej, A. J., Schutz, M., Seijo, L., Serrano-Andres, L., Siegbahn, P. E. M., and Widmark, P.-O., 1997. Molcas, (University of Lund)
27. DeKock, L., and Weltner, W., 1971. J. phys. Chem., 75:514
28. Van Zee, R. J., Ferrante, R. F., Zeringue, K. J., and Weltner, W., 1981. J. chem. Phys., 75:5297