Equilibrium geometries, electronic structure and magnetic properties of small manganese clusters

Journal of Physics Condensed Matter

Volumn 10, Issue 48, 1998, Pages 10863-10877

  Nayak, S K ^a   Rao, B K ^a   Jena, P ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001246446     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/48/009     Document Type: Article

References (33)

1. Moore C E 1952 Natl. Bur. Stand. (US), Circ. 467 27
2. Arrott A 1966 Magnetism vol 2B, ed G T Rado and A Suhl (New York: Academic) p 295
3. Morse M D 1986 Chem. Rev. 86 1049
4. Baumann C A, VanZee R J, Bhat S and Weltner W Jr 1983 J. Chem. Phys. 78 190
5. Nayak S K, Khanna S N, Rao B K and Jena P 1997 J. Phys. Chem. A 101 1072
6. Reuse F, Khanna S N, de Coulon V and Buttet J 1989 Phys. Rev. B 39 12911
7. Rademann K, Kaiser B, Evan U and Hensel F 1987 Phys. Rev. Lett. 59 2319 Brechignac C, Broyer M, Cahuzac Ph, Delacretaz G, Labastie P, Wolf J P and Wöste L 1988 Phys. Rev. Lett. 60 275
8. Rademann K, Kaiser B, Evan U and Hensel F 1987 Phys. Rev. Lett. 59 2319 Brechignac C, Broyer M, Cahuzac Ph, Delacretaz G, Labastie P, Wolf J P and Wöste L 1988 Phys. Rev. Lett. 60 275
9. Parks E K, Nieman G C and Riley S J 1996 J. Chem. Phys. 104 3531
10. Koretsky G M and Knickelbein M B 1997 J. Chem. Phys. 106 9810
11. Nesbet R K 1964 Phys. Rev. 135 A460
12. Wolf A and Schmidtke H-H 1980 Int. J. Quantum Chem. 18 1187
13. Harris J and Jones R O 1979 J. Chem. Phys. 70 830
14. Salahub D R and Baykara N A 1985 Surf. Sci. 156 605 Salahub D R 1987 Ab Initio Methods in Quantum Chemistry II ed K P Lawley (New York: John Wiley)
15. Salahub D R and Baykara N A 1985 Surf. Sci. 156 605 Salahub D R 1987 Ab Initio Methods in Quantum Chemistry II ed K P Lawley (New York: John Wiley)
16. Shillady D D, Jena P, Rao B K and Press M R 1988 Int. J. Quantum Chem. 22 231
17. Fujima N and Yamaguchi T 1995 J. Phys. Sols Japan 64 1251
18. Frisch M J et al 1995 Gaussian 94 revision B.1 (Pittsburgh, PA: Gaussian)
19. Biosym DMOL Code (San Deigo, CA: Biosym)
20. Vosko S H, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
21. Becke A D 1988 Phys. Rev. A 38 3098 Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
22. Becke A D 1988 Phys. Rev. A 38 3098 Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
23. Lee C L, Yang W and Parr R G 1988 Phys. Rev. B 37 785 Becke A D 1993 J. Chem. Phys. 98 5648
24. Lee C L, Yang W and Parr R G 1988 Phys. Rev. B 37 785 Becke A D 1993 J. Chem. Phys. 98 5648
25. Hay P J and Wadt W R 1985 J. Chem. Phys. 82 270 Wadt W R and Hay P J 1985 J. Chem. Phys. 82 299
26. Hay P J and Wadt W R 1985 J. Chem. Phys. 82 270 Wadt W R and Hay P J 1985 J. Chem. Phys. 82 299
27. Nayak S K and Jena P 1998 Chem. Phys. Lett. 289 473
28. Patton D C and Pederson M R 1997 Phys. Rev. A 56 R2495
29. Van Zee R J and Weltner W Jr 1988 J. Chem. Phys. 89 4444
30. Ludwig G W, Woodbury H H and Carlson R O 1959 J. Phys. Chem. Solids 8 490
31. Stepanyuk V S, Hergert W, Wildberger K, Nayak S K and Jena P 1997 Surf. Sci. Letts. 384 L892
32. Blügel S, Drittler B, Zeller R and Dederichs P H 1989 Appl. Phys. A 49 547
33. 2.