Ab initio investigation on the nonlinear optical properties of silicon clusters Sin (n=3-8)

Journal of Computational Methods in Sciences and Engineering

Volumn 7, Issue 3-4, 2007, Pages 297-304

  Champagne, Benoit ^a   Guillaume, Maxime ^a   Begue, Didier ^b   Pouchan, Claude ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRON CORRELATIONS; NONLINEAR OPTICS; OPTICAL PROPERTIES;

AB INITIO INVESTIGATION; AB INITIO METHOD; BULK-LIMIT; CLUSTER SIZES; NON-LINEAR OPTICAL PROPERTIES; POLARIZABILITIES; SECOND HYPERPOLARIZABILITIES; SILICON CLUSTERS;

SILICON;

EID: 64549116118     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2007-73-410     Document Type: Article

References (41)

1. E.L. Muetterties, T.N. Rhodin, E. Band, C.F. Brucker and W.R. Pretzer, Chem Rev 79 (1979), 91.
2. J. Koutecky and P. Fantucci, Chem Rev 86 (1986), 539.
3. J. Sauer, Chem Rev 89 (1989), 199.
4. J.A. Alonso, Chem Rev 100 (2000), 637.
5. Atomic Clusters and Nanoparticles, NATO Advanced Study Institute, les Houches session LXXIII, les Houches, (2000)
6. C. Guet, P. Hobza, F. Spiegelman and F. David, eds, EDP Sciences and Springer Verlag, Berlin, 2001.
7. K. Raghavachari and V. Logovinsky, Phys Rev Lett 55 (1985), 2853.
8. P.S. Bagus, C.J. Nelin and C.W. Bauschlicher, J Surf Sci 156 (1985), 615.
9. K. Raghavachari, J Chem Phys 84 (1986), 5672.
10. T.T. Rantala, M.I. Stockman, D.A. Jelski and T.F. George, J Chem Phys 93 (1990), 7427.
11. R.O. Jones, G. Ganteför, S. Hunsicker and P. Pieperhoff, J Chem Phys 103 (1995), 9549.
12. I.G. Kaplan, R. Santamaria and O. Novaro, Int J Quant Chem 55 (1995), 237.
13. V. Bonacic-Koutecky, J. Pittner, C. Fruchs, P. Fantucci, M.F. Guest and J. Koutecky, J Chem Phys 104 (1996), 1427.
14. J.A. Becker, Angew Chem Int Ed 36 (1997), 1390.
15. S. Ö güt and J.R. Chelikowsky, Phys Rev B 55 (1997), 4914.
16. I. Vasiliev, S. Ö güt and J.R. Chelikowsky, Phys Rev Lett 78 (1997), 4805.
17. E.C. Honea, A. Ogura, D.R. Peale, C. Félix, C.A. Murray, K. Raghavachari, W.O. Sprenger, M.F. Jarrold and W.L. Brown, J Chem Phys 110 (1999), 12161.
18. P. Fuentealba, Phys Rev A 58 (1998), 4232.
19. D. Bégué and C. Pouchan, J Comput Chem 22 (2001), 230.
20. G. Maroulis, D. Bégué and C. Pouchan, J Chem Phys 119 (2003), 794.
21. H. Häkkinen, M. Moseler, O. Kotsko, N. Morgner, M. Astruc Foffmann and B.V. Issendorff, Phys Rev Lett 93 (2004), 093401.
22. C. Pouchan, D. Bégué and D.Y. Zhang, J Chem Phys 121 (2004), 4628.
23. K.A. Jackson, M. Yang, I. Chaudhuri and Th. Frauenheim, Phys Rev A 71 (2005), 033205.
24. M. Yang and K.A. Jackson, J Chem Phys 122 (2005), 184317.
25. M.B. Knickelbein, Phys Rev B 71 (2005), 184442.
26. K. Fink, Phys Chem Chem Phys 8 (2006), 1482.
27. P. Karamanis, D. Zhang and C. Pouchan, Chem Phys Lett 331 (2006), 417.
28. P.P. Korambath and S.P. Karna, J Phys Chem A 104 (2000), 4801.
29. A. Banerjee and M.K. Harbola, J Chem Phys 113 (2000), 5614.
30. D.M. Bishop and F.L. Gu, Chem Phys Lett 317 (2000), 322.
31. B. Jansik, B. Schimmelpfennig, P. Norman, Y. Mochizuki, Y. Luo and H. Ågren, J Phys Chem A 106 (2002), 395.
32. J.L. Wang, M.L. Yang, G.H. Wang and J.J. Zhao, Chem Phys Lett 367 (2003), 448.
33. Y.Z. Lan,W.D. Cheng, D.S.Wu, J. Shen, S.P. Huang, H. Zhang, Y.J. Gong and F.F. Li, J Chem Phys 124 (2006), 094302.
34. A.C. Pineda and S.P. Karna, Chem Phys Lett 429 (2006), 169.
35. B. Champagne and D.M. Bishop, Adv Chem Phys 126 (2003), 41.
36. R. Bersohn, Y.H. Pao and H.L. Frisch, J Chem Phys 45 (1966), 3184.
37. P.J. Davis and P. Rabinowitz, in: Numerical Integration, Blaisdell Publishing Company, London, 1967, p. 166.
38. Gaussian 03, Revision C.02, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, Gaussian, Inc., Wallingford CT, 2004.
39. B. Champagne, F.A. Bulat, W. Yang, S. Bonness and B. Kirtman, J Chem Phys 125 (2006), 194114.
40. M. Spassova, B. Champagne and B. Kirtman, Chem Phys Lett 412 (2005), 217.
41. B.M. Bode and M.S. Gordon, J Mol Graphics and Modeling 16 (1999), 133.