MVPACK: A package to calculate energy levels and magnetic properties of high nuclearity mixed valence clusters

Journal of Computational Chemistry

Volumn 31, Issue 6, 2010, Pages 1321-1332

  Borras Almenar J J ^a   Cardona Serra, S ^a   Clemente Juan, J M ^a   Coronado, E ^a   Palii, A V ^b   Tsukerblat, B S ^c  

^a UNIVERSITY OF VALENCIA   (Spain)

^b INSTITUTE OF APPLIED PHYSICS   (Moldova)

^c BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

Double exchange; Electron delocalization; Heisenberg exchange; Magnetic properties; Mixed valence compounds; Molecular magnetism; Software

Indexed keywords

DOUBLE EXCHANGE; ELECTRON DELOCALIZATION; HEISENBERG EXCHANGE; MIXED VALENCE COMPOUNDS; MOLECULAR MAGNETISM;

COMPUTER SOFTWARE; MAGNETIC PROPERTIES;

MAGNETISM;

EID: 77950567164     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21400     Document Type: Article

References (50)

1. Coronado, E.; Dunbar, K. R. Inorg Chem. 2009, 48, 3293-3295.
2. Borrás-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Palii, A. V.; Tsukerblat, B.S. In Magnetism: Molecules to Materials, Miller J.; Drillon M., Eds.; Willey-VCH: Weinheim, 2001, 155-210.
3. Zener, C. Phys Rev 1951, 82, 403-405.
4. Anderson, P. W.; Hasegawa, H. Phys Rev 1955, 100, 675-681.
5. De Gennes, P.-G. Phys Rev 1960, 118, 141-154.
6. Blondin, G.; Girerd, J.-J. Chem Rev 1990, 90, 1359-1376.
7. Coronado, E.; Gomez-García, C. J. Comments Inorg Chem 1995, 17, 255-281.
8. Coronado, E.; Gómez-Garcìa, C. J. Chem Rev 1998, 98, 273-296.
9. Rlemperer, W. G.; Wall, C. G. Chem Rev 1998, 98, 297-306.
10. Pope, M. T.; Müller, A. Polyoxometalates: From Platonic Solids to Anti-RetroViral Activity; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1994.
11. Clemente-Juan, J. M.; Coronado, E. Coord Chem Rev 1999, 193-195, 361-394.
12. Müller, A.; Sessoli, R,; Krickemeyer, E.; Bögge, H,; Meyer, J.; Gatteschi, D.; Pardi, L.; Westphal, J.; Hovemeier, K.; Rohlfing, R.; Doring, J.; Hellweg, F.; Beugholt, C.; Schmidtmann, M, Inorg Chem 1997, 36, 5239-5250.
13. Müller, A.; Peters, F.; Pope, M. T.; Gatteschi, D. Chem Rev 1998, 98, 239-272.
14. Gatteschi, D.; Tsukerblat, B. S. Chem Phys 1996, 202, 25-37.
15. Gatteschi, D.; Tsukerblat, B. S.; Barra, A. L.; Brunei, L. C.; Müller, A.; Doring, J. Inorg Chem 1993, 32, 2114-2117.
16. Gatteschi, D.; Tsukerblat, B. S. Mol Phys 1993, 79, 121-143.
17. Borshch, S. A.; Bigot, B. Chem Phys Lett 1993, 212, 398-402.
18. Borras-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Tsukerblat, B. S. Chem Phys 1995, 195, 1-15.
19. Borrás-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Tsukerblat, B. S. Chem Phys 1995, 195, 17-28.
20. Williams, J. M.; Ferraro, J. R.; Thorn, R. J.; Carlson, K, D.; Geiser, U.; Wang, H. H.; Kini, A. M.; Ehangbo, M. H. In Organic Superconductors, Synthesis, Structure, Properties, and Theory; Crimes, R. N., Ed.; Prentice-Hall Inc.: Englewood Cliffs, NJ, 1992.
21. Borrás-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Tsukerblat, B. S. J Comput Chem 2001, 22, 985-991.
22. Borrás-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Georges, R.; Palii, A. V.; Tsukerblat, B. S. J Chem Phys 1996, 105, 6892-6909.
23. Warshalovich, D. A.; Moskalev, A. N.; Khersonskii, V. R. Quantum Theory of Angular Momentum; World Scientific: Singapore, 1988.
24. Tsukerblat, B. S.; Belinskii, M. I. Magnetochemistry and Radiospectroscopy of Exchange Clusters; Stiintsa Publ.: Rishinev, 1983.
25. Bencini, A.; Gatteschi, D. Electron Paramagnetic Resonance of Exchange Coupled Systems, Springer-Verlag, 1990.
26. Anderson, E.; Bai, Z.; Bishof, C.; Blackford, S.; Demmel, J.; Dongarra, J.; Croz, J. D.; Greenbaum, A.; Hammarling, S.; McKenney, A.; Sorensen, D., Eds. LAPACR User's Guide; Society for Industrial and Applied Mathematics, 3rd ed., SIAM: Philadelphia, 1999.
27. Belinskii, M. I. Sov Phys Solid State 1985, 27, 1057-1067.
28. Belinskii, M. I. MoI Phys 1987, 60, 793-819.
29. Gomez-Garcia, C. J.; Coronado, E.; Pourroy, G. J Appl Phys 1990, 67, 5992-5994.
30. Borrás-Almenar, J. J.; Coronado, E.; Georges, R.; Gomez-Garcia, C. J. Chem Phys 1992, 166, 139-144.
31. Belinskii, M. I.; Tsukerblat, B. S.; Zaitsev, S. A.; Belinskaya, I. S. New J Chem 1992, 16, 791-799.
32. Palii, A. V.; Ostravsku, S. M,; Tsukerblat, B. S. New J Chem. 1992, 16, 943-952.
33. Bencini, A.; Palii, A. V.; Ostrovsky, S. M.; Tsukerblat, B. S.; Uytterhoeven, M, G. MoI Phys 1995, 86, 1085-1097.
34. Coucouvanis, D.; Kanatzidis, M. G.; Dunham, W. R.; Hagen, W. R. J Am Chem Soc 1984, 106, 7998-7999.
35. Kanatzidis, M. G.; Dunham, W. R.; Hagen, W. R.; Coucouvanis, D. J Chem Soc Chem Commun 1984, 356-358.
36. Kanatzidis, M. G.; Hagen, W. R.; Dunham, W. R.; Lester, R. K; Coucouvanis, D. J Am Chem Soc 1985, 107, 953-961,
37. Czervinski, M,; Dabrowski, J. Mol. Phys 1997, 90, 445-464.
38. Reggin, J. F. Electron Polarisation, Nature 1933, 131 908.
39. Casãn-Pastor, N.; Baker, L. C. W. J Am Chem Soc 1992, 114, 10384-10394.
40. Suaud, N.; Gaita-Arifio, A.; Clemente-Juan, J.M.; Coronado, E. Chem Eur J 2004, 10, 4041-4053.
41. Suaud, N.; Gaita-Ariño, A,; Clemente-Juan, J.M.; Sánchez-Marín, J.; Coronado, E. J Am Chem Soc 2002, 124, 15134-15140.
42. Wong, K. Y.; Schatz, P. N. Prog Inorg Chem 1981, 28, 369-449.
43. Launay, J. P.; Babonneau, F. Chem Phys 1982, 67, 295-300.
44. Borshch, S. A.; Bominaar, E. L.; Blondin, G.; Girerd, J.-J. J Am Chem Soc 1993, 115, 5155-5168.
45. Marks, A. J.; Prassides, K. New J Chem 1993, 17, 59-65.
46. Piepho, S. B. J Am Chem Soc 1988, 110, 6319-6326.
47. Borras-Almenar, J. J.; Coronado, E.; Ostrovsky, S. M.; Palii, A. V.; Tsukerblat, B. S. Chem Phys 1999, 240, 149-161.
48. Bersuker, I. B.; Polinger, V. Z. Vibronic Interactions in Molecules and Crystals; Springer-Verlag: Berlin, 1989.
49. Bersuker, I. B. The Jahn-Teller Effect; Cambridge University Press: Cambridge, 2006.
50. Schnalle, R.; Schnack, J. Phys Rev 2009, B79, 104419.