Theoretical study of low-lying electronic states of Mn2 using a newly developed relativistic model core potential

Chemical Physics Letters

Volumn 462, Issue 1-3, 2008, Pages 23-26

  Mon, Ma San ^a   Mori, Hirotoshi ^b,c   Miyoshi, Eisaku ^a,c  

^a KYUSHU UNIVERSITY   (Japan)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; MANGANESE; MANGANESE COMPOUNDS;

LOW-LYING ELECTRONIC STATES;

ELECTRONIC STATES;

EID: 49649111329     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.07.011     Document Type: Article

References (39)

1. Pittel B., and Schwartz W.H.E. Chem. Phys. Lett. 46 (1977) 121
2. Teichteil C., Malrieu J.P., and Barthelat J.C. Mol. Phys. 33 (1977) 181
3. Miyoshi E., Sakai Y., and Tatewaki H. J. Mol. Struct.: THEOCHEM 451 (1998) 143
4. Sakai Y., Miyoshi E., Klobukowski M., and Huzinaga S. J. Chem. Phys. 106 (1997) 8084
5. Miyoshi E., Sakai Y., Tanaka K., and Masamura M. J. Mol. Struct.: THEOCHEM 451 (1998) 73
6. Sakai Y., and Miyoshi E. J. Chem. Phys. 87 (1987) 2885
7. Sakai Y., and Miyoshi E. J. Chem. Phys. 89 (1988) 4452
8. Miyoshi E., and Sakai Y. J. Comput. Chem. 9 (1988) 719
9. Miyoshi E., and Sakai Y. J. Chem. Phys. 89 (1988) 7363
10. Katsuki S., Sakai Y., and Miyoshi E. Surf. Sci. 220 (1989) 181
11. Sakai Y., Miyoshi E., and Anno T. Can. J. Chem. 70 (1992) 309
12. Mochizuki Y., Takada T., Sasaoka C., Usui A., Miyoshi E., and Sakai Y. Phys. Rev. B 49 (1994) 4658
13. Sakai Y., Oshibe T., and Miyoshi E. Acta Crystallogr. B 52 (1996) 251
14. Sakai Y., Miyoshi E., and Katsuki S. Phys. Rev. B 52 (1995) 14150
15. Sumi T., Sakai Y., Miyoshi E., and Katsuki S. Phys. Rev. B 55 (1997) 4766
16. Osanai Y., Mon M.S., Noro T., Mori H., and Miyoshi E. Chem. Phys. Lett. 452 (2008) 210
17. Bier K.D., Haslett T.L., Kirkwood A.D., and Moskovits M.J. J. Chem. Phys. 89 (1988) 6
18. Kirkwood A.D., Bier K.D., Thompson J.K., Haslett T.L., Huber A.S., and Moskovits M. J. Phys. Chem. 95 (1991) 2644
19. Baumann C.A., Van Zee R.J., Bhat S.V., and Weltner Jr. W. J. Phys. Chem. 78 (1983) 190
20. Kant A., Lin S., and Strauss B. J. Chem. Phys. 49 (1968) 1983
21. Harris J., and Jones R.O. J. Chem. Phys. 70 (1979) 830
22. Fujima N., and Yamaguchi T. J. Phys. Soc. Jpn. 64 (1995) 1251
23. Nayak S.K., and Jena P. Chem. Phys. Lett. 289 (1998) 473
24. Nayak S.K., Rao B.K., and Jena P. J. Phys. C 10 (1998) 10863
25. Pederson M.R., Reuse F.A., and Khanna S.N. Phys. Rev. B 58 (1998) 5632
26. Desmarais N., Reuse F.A., and Khanna S.N. J. Chem. Phys. 112 (2000) 5576
27. Yanagisawa S., Tsuneda T., and Hirao K. J. Chem. Phys. 112 (2000) 545
28. Barden C.J., Rienstra-Kiracofe J.C., and Schaefer III H.F. J. Chem. Phys. 113 (2000) 690
29. Gutsev G.L., and Bauschlicher Jr. C.W. J. Phys. Chem. A 107 (2003) 4755
30. Valiev M., Bylaska E.J., and Weare J.H. J. Chem. Phys. 119 (2003) 5955
31. Bobadova-Parvanova P., Jackson K.A., Srinivas S., and Horoi M. J. Chem. Phys. 122 (2005) 014310
32. Bauschlicher Jr. C.W. Chem. Phys. Lett. 156 (1989) 95
33. Wang B., and Chen Z. Chem. Phys. Lett. 387 (2004) 395
34. Yamamoto S., Tatewaki H., Moriyama H., and Nakano H. J. Chem. Phys. 124 (2006) 124302
35. Dolg M., Wedig U., Stoll H., and Preuss H. J. Chem. Phys. 86 (1987) 866
36. Noro T., Sekiya M., Koga T., and Matsuyama H. Theor. Chem. Acc. 104 (2000) 146
37. Nakano H. J. Chem. Phys. 99 (1993) 7983
38. Witek H.A., Choe Y.-K., Finley J.P., and Hirao K. J. Comput. Chem. 23 (2002) 957
39. Schmidt M.W., et al. J. Comput. Chem. 14 (1993) 1347