Revised model core potentials for second-row transition metal atoms from Y to Cd

Chemical Physics Letters

Volumn 463, Issue 1-3, 2008, Pages 230-234

  Osanai, You ^a   Soejima, Eiko ^b   Noro, Takeshi ^c   Mori, Hirotoshi ^d,e   Mon, Ma San ^b   Klobukowski, Mariusz ^f   Miyoshi, Eisaku ^b,e  

^a AOMORI UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

^c HOKKAIDO UNIVERSITY   (Japan)

^d OCHANOMIZU UNIVERSITY   (Japan)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^f UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ELECTRONIC STRUCTURE; IMAGE STORAGE TUBES; TRANSITION METALS;

BASIS SETS; RELATIVISTIC MODELS; SPECTROSCOPIC CONSTANTS; TRANSITION-METAL ATOMS;

ATOMS;

EID: 51349169348     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.07.091     Document Type: Article

References (41)

1. Sakai Y., Miyoshi E., Klobukowski M., and Huzinaga S. J. Comput. Chem. 8 (1987) 226
2. Sakai Y., Miyoshi E., Klobukowski M., and Huzinaga S. J. Comput. Chem. 8 (1987) 264
3. Sakai Y., Miyoshi E., Klobukowski M., and Huzinaga S. J. Chem. Phys. 106 (1997) 8084
4. Miyoshi E., Sakai Y., Tanaka K., and Masamura M. J. Mol. Struct.: Theochem. 451 (1998) 73
5. Sakai Y., Miyoshi E., and Tatewaki H. J. Mol. Struct.: Theochem. 451 (1998) 143
6. Huzinaga S., Seijo L., Barandiarán Z., and Klobukowski M. J. Chem. Phys. 86 (1987) 2132
7. Seijo L., Barandiarán Z., and Huzinaga S. J. Chem. Phys. 91 (1989) 7011
8. Barandiarán Z., Seijo L., and Huzinaga S. J. Chem. Phys. 93 (1990) 5843
9. Barandiarán Z., and Seijo L. Can. J. Chem. 70 (1992) 409
10. Bonifacic V., and Huzinaga S. J. Chem. Phys. 60 (1974) 2779
11. Sakai Y. J. Chem. Phys. 75 (1981) 1303
12. Sakai Y., and Huzinaga S. J. Chem. Phys. 76 (1982) 2537
13. Sakai Y., and Huzinaga S. J. Chem. Phys. 76 (1982) 2552
14. Andzelm J., Huzinaga S., Klobukowski M., and Radzio-Andzelm E. Mol. Phys. 52 (1981) 1495
15. Klobukowski M. J. Comput. Chem. 4 (1983) 350
16. Pettersson L.G.M., Wahlgren U., and Gropen O. J. Chem. Phys. 86 (1987) 2176
17. Katsuki S., and Huzinaga S. Chem. Phys. Lett. 152 (1988) 203
18. Katsuki S. Can. J. Chem. 70 (1992) 285
19. Katsuki S. J. Chem. Phys. 98 (1993) 496
20. Tatewaki H., Katsuki S., Sakai Y., and Miyoshi E. J. Comput. Chem. 17 (1996) 1056
21. Huzinaga S. Can. J. Chem. 73 (1995) 619 and references cited therein
22. Pittel B., and Schwartz W.H.E. Chem. Phys. Lett. 46 (1977) 121
23. Teichteil C., Malrieu J.P., and Barthelat J.C. Mol. Phys. 33 (1977) 181
24. Osanai Y., Noro T., and Miyoshi E. J. Chem. Phys. 117 (2002) 9623
25. Miyoshi E., Mori H., Hirayama R., Osanai Y., Noro T., Honda H., and Klobukowski M. J. Chem. Phys. 122 (2005) 074104
26. Osanai Y., Mon M.S., Noro T., Mori H., Nakashima H., Klobukowski M., and Miyoshi E. Chem. Phys. Lett. 452 (2008) 210
27. Sasaki F. Int. J. Quantum Chem. 8 (1974) 605
28. F. Sasaki, M. Sekiya, T. Noro, K. Ohtsuki, Y. Osanai, in: E. Clementi (Ed.) MOTECC-94, STEF, Calgari, 1993.
29. Schmidt M.W., et al. J. Comput. Chem. 14 (1993) 1347
30. Höjer G., and Chung J. Int. J. Quantum Chem. 14 (1978) 623
31. Cowan R.D., and Griffin D.C. J. Opt. Soc. Am. 66 (1976) 1010
32. Osanai Y., Sekiya M., Noro T., and Koga T. Mol. Phys. 101 (2003) 65
33. Huzinaga S., and Miguel B. Chem. Phys. Lett. 212 (1990) 289
34. Nakajima T., and Hirao K. J. Chem. Phys. 133 (2000) 7786
35. .
36. Nakano H. J. Chem. Phys. 99 (1993) 7983
37. Witek H.A., Choe Y.-K., Finley J.P., and Hirao K. J. Comput. Chem. 23 (2002) 957
38. Huber K.P., and Herzberg G. Constants of Diatomic Molecules (1979), Van Nostrand Reinhold, New York
39. Lo J.M.H., and Klobukowski M. Theor. Chem. Acc. 118 (2007) 607
40. Witek H.A., Fedorov D.G., Hirao K., Viel A., and Widmark P.-O. J. Chem. Phys. 116 (2002) 8396
41. J.E. Sansonetti, W.C. Martin, S.L. Young, Handbook of Basic Atomic Spectroscopic Data. Available from: .