The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations

Monthly Notices of the Royal Astronomical Society

Volumn 420, Issue 1, 2012, Pages 147-154

  Demichelis, Raffaella ^a   Suto, Hiroshi ^b   Noël, Yves ^c   Sogawa, Hisato ^d   Naoi, Takahiro ^b   Koike, Chiyoe ^e   Chihara, Hiroki ^e   Shimobayashi, Norimasa ^f   Ferrabone, Matteo ^g   Dovesi, Roberto ^g  

^a CURTIN UNIVERSITY   (Australia)

^b NATIONAL ASTRONOMICAL OBSERVATORY OF JAPAN   (Japan)

^c Université Pierre et Marie Curie   (France)

^d OSAKA INSTITUTE OF TECHNOLOGY   (Japan)

^e OSAKA UNIVERSITY   (Japan)

^f KYOTO UNIVERSITY   (Japan)

^g UNIVERSITY OF TURIN   (Italy)

Author keywords

Astronomical data bases: miscellaneous; Circumstellar matter; Techniques: miscellaneous

Indexed keywords

EID: 84856231667     PISSN: 00358711     EISSN: 13652966     Source Type: Journal    
DOI: 10.1111/j.1365-2966.2011.20018.x     Document Type: Article

References (33)

1. Adamo C., Barone V., 1999, J. Chemical Phys., 110, 6158
2. Balan E., Blanchard M., Hochepied J. F., Lazzeri M., 2008, Phys. Chemistry Minerals, 35, 279
3. Baranek P., Zicovich-Wilson C., Roetti C., Orlando R., Dovesi R., 2001, Phys. Rev. B, 64, 125102
4. Born M., Huang K., 1954, Dynamical Theory of Crystal Lattices. Oxford Univ. Press, Oxford
5. Broyden C. G., 1970, J. Inst. Math. Applications, 6, 76
6. Civalleri B., D'Arco P., Orlando R., Saunders V. R., Dovesi R., 2001, Chemical Phys. Lett., 348, 131
7. Decius J. C., Hexter R. M., 1977, Molecular Vibrations in Crystals. McGraw-Hill, New York
8. Demichelis R., Civalleri B., Ferrabone M., Dovesi R., 2010a, Int. J. Quantum Chemistry, 110, 406
9. Demichelis R., Civalleri B., D'Arco P., Dovesi R., 2010b, Int. J. Quantum Chemistry, 110, 2260
10. Doll K., 2001, Comput. Phys. Commun., 137, 74
11. Doll K., Harrison N. M., Saunders V. R., 2001, Int. J. Quantum Chemistry, 82, 1
12. Dovesi R. et al., 2009, crystal 2009 User's Manual. Univ. degli Studi di Torino, Torino
13. Ferrero M., Rérat M., Orlando R., Dovesi R., 2007, in Simos T. E., Maroulis G., eds, AIP Conf. Proc. Vol. 963, Computation in Modern Science and Engineering. Am. Inst. Phys., New York, p. 1199
14. Ferrero M., Rérat M., Orlando R., Dovesi R., 2008a, J. Chemical Phys., 128, 014110
15. Ferrero M., Rérat M., Orlando R., Dovesi R., 2008b, J. Comput. Chemistry, 29, 1450
16. Ferrero M., Civalleri B., Rérat M., Orlando R., Dovesi R., 2009, J. Chemical Phys., 131, 214704
17. Fletcher R., 1970, Comput. J., 13, 317
18. Ghose S., Schomaker V., McMullan R. K., 1986, Z. Kristallographie, 176, 159
19. Goldfarb D., 1970, Math. Comput., 24, 23
20. Ito J., 1975, Geophys. Res. Lett., 12, 533
21. Noël Y., Zicovich-Wilson C., Civalleri B., D'Arco P., Dovesi R., 2002, Phys. Rev. B, 65, 014111
22. Noël Y., Catti M., D'Arco P., Dovesi R., 2006, Phys. Chemistry Minerals, 33, 383
23. Ohashi Y., 1984, Phys. Chemistry Minerals, 10, 217
24. Olofsson J. et al., 2009, A&A, 507, 327
25. Pascale F., Zicovich-Wilson C. M., Gejo F. L., Civalleri B., Orlando R., Dovesi R., 2004, J. Comput. Chemistry, 25, 888
26. Pisani C., Dovesi R., Roetti C., Causà M., Orlando R., Casassa S., Saunders V. R., 2000, Int. J. Quantum Chemistry, 77, 1032
27. Shanno D. F., 1970, Math. Comput., 24, 647
28. Spoon H. W. W. et al., 2006, ApJ, 638, 759
29. Tanaka T., Takei H., 1997, J. Crystal Growth, 180, 206
30. Wooden D. H., Woodward C. E., Harker D. E., 2004, ApJ, 612, L77
31. Zicovich-Wilson C., Dovesi R., Saunders V. R., 2001, J. Chemical Phys., 115, 9708
32. Zicovich-Wilson C., Bert A., Roetti C., Dovesi R., Saunders V. R., 2002, J. Chemical Phys., 116, 1120
33. Zicovich-Wilson C. M., Torres F. J., Pascale F., Valenzano L., Orlando R., Dovesi R., 2008, J. Comput. Chemistry, 29, 2268