Spin Hamiltonian effective parameters from periodic electronic structure calculations

Journal of Physics: Conference Series

Volumn 117, Issue 1, 2008, Pages

  Rivero, Pablo ^a   Moreira, Ibério De P R ^a   Illas, Francesc ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 51049083351     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/117/1/012025     Document Type: Conference Paper

References (27)

1. Kahn O 1993 Molecular Magnetism VCH Publishers New York
2. Greenwood NN and Earnshaw A 1994 A Chemistry of the Elements Pergamon Press Oxford
3. Caspers WJ 1989 Spin systems World Scientific Publishing Singapore
4. Yosida K 1996 Theory of magnetism Springer Series in Solid State Sciences 122 Springer-Verlag Berlin
5. Weht R and Pickett WE 1998 Phys. Rev. Lett. 81 2502
6. de Graaf C, Moreira I de PR, Illas F, Iglesias O and Labarta A 2002 Phys. Rev. B 66 014448
7. Moreira I de PR and Illas F 2006 Phys. Chem. Chem. Phys. 8 1645
8. de Graaf C, Sousa C, Moreira I de PR and Illas F 2001 J. Phys. Chem. A 105 11371
9. Illas F, Moreira I de PR, de Graaf C and Barone V 2000 Theoret. Chem. Acc. 104 265
10. Martin RL and Illas F 1997 Phys. Rev. Lett. 79 1539
11. Moreira I de PR and Illas F 1997 Phys. Rev. B 55 4129
12. Caballol R, Castell O, Illas F, Malrieu JP and Moreira I de PR 1997 J. Phys. Chem. A 101 7860
13. Illas F, Moreira I de PR, Bofill JM and Filatov M 2004 Phys. Rev. B 70 132414
14. Moreira I de PR, Costa R, Filatov M and Illas F 2007 J. Chem. Theo. Comput. 3 764
15. Ricart JM, Dovesi R, Roetti C and Saunders VR 1995 Phys. Rev. B 52 2381;
16. ibid. 1997 Phys. Rev. B 55 15942(E)
17. Dovesi R, Fava FF, Roetti C, Saunders VR 1997 Faraday Discussions 106 173
18. Bartel LC and Morosin B 1971 Phys. Rev. B 3 1039
19. Moreira I de PR, Illas F and Martin RL, 2002 Phys. Rev. B 65 155102
20. Feng XB 2004 Phys. Rev. B 69 155107
21. Moreira I de PR, Calzado CJ, Malrieu JP and Illas F 2006 Phys. Rev. Lett. 97 087003
22. Moreira I de PR, Calzado CJ, Malrieu JP, Illas F 2007 New J. Phys. 9 369
23. Reinhardt P, Moreira I de PR, de Graaf C, Illas F and Dovesi R 2000 Chem. Phys. Lett. 319 625
24. Feng XB, Harrison NM 2004 Phys. Rev. B 70 092402
25. Moreira I de PR and Illas F 1999 Phys. Rev. B 60 5179
26. de Graaf C, Moreira I de PR, Illas F and Martin RL, 1999 Phys. Rev. B 60 3457
27. Muñoz D, Moreira I de PR and Illas F 2005 Phys. Rev. B 71 172505