Extent of delocalization of vibrational modes in liquids as a result of competition between diagonal disorder and off-diagonal coupling

Journal of Physical Chemistry A

Volumn 108, Issue 11, 2004, Pages 2103-2107

  Torii, Hajime ^a,b  

^a SHIZUOKA UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; HAMILTONIANS; LIQUIDS; MOLECULAR DYNAMICS; PROBES; RAMAN SPECTROSCOPY; THERMODYNAMIC STABILITY;

DELOCALIZATION OF VIBRATIONAL MODES; RAMAN NONCOINCIDENCE EFFECT; VIBRATION EXCITONS; VIBRATIONAL HAMILTONIAN;

MOLECULAR VIBRATIONS;

EID: 1642372945     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037603s     Document Type: Article

References (35)

1. Torii, H. In Novel Approaches to the Structures and Dynamics of Liquids: Experiments, Theories and Simulations; Samios, J., Durov, V. A., Eds.; Kluwer: Dordrecht, The Netherlands, in press.
2. Fini, G.; Mirone, P.; Fortunato, B. J. Chem. Soc., Faraday Trans. 2 1973, 69, 1243.
3. (a) Wang, C. H.; McHale, J. J. Chem. Phys. 1980, 72, 4039.
4. (b) McHale, J. L. J. Chem. Phys. 1981, 75, 30.
5. Logan, D. E. Chem. Phys. 1986, 103, 215.
6. Torii, H.; Tasumi, M. J. Chem. Phys. 1993, 99, 8459.
7. Woutersen, S.; Bakker, H. J. Nature 1999, 402, 507.
8. Torii, H. Chem. Phys. Lett. 2000, 323, 382.
9. Kubo, R. Adv. Chem. Phys. 1969, 15, 101.
10. Hansen, J.-P.; McDonald, I. R. Theory of Simple Liquids; Academic Press: London, UK, 1986.
11. Torii, H. J. Mol. Struct. (THEOCHEM) 1994, 311, 199.
12. Stevens, M. J.; Grest, G. S. Phys. Rev. E 1995, 51, 5976.
13. Musso, M.; Giorgini, M. G.; Döge, G.; Asenbaum, A. Mol. Phys. 1997, 92, 97.
14. Torii, H.; Musso, M.; Giorgini, M. G.; Döge, G. Mol. Phys. 1998, 94, 821.
15. Musso, M.; Torii, H.; Ottaviani, P.; Asenbaum, A.; Giorgini, M. G. J. Phys. Chem. A 2002, 106, 10152.
16. Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.
17. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: Oxford, UK, 1989.
18. Musso, M.; Torii, H.; Giorgini, M. G.; Döge, G. J. Chem. Phys. 1999, 110, 10076.
19. km| for all m.
20. Bell, R. J.; Dean, P. Discuss. Faraday Soc. 1970, 50, 55.
21. Thouless, D. J. Phys. Rep. 1974, 13, 93.
22. Weaire, D.; Williams, A. R. J. Phys. C: Solid State Phys. 1977, 10, 1239.
23. Evensky, D. A.; Scalettar, R. T.; Wolynes, P. G. J. Phys. Chem. 1990, 94, 1149.
24. A different definition of the frequency-dependent (inverse) participation ratio is described in: Piryatinski, A.; Asher, S. A.; Mukamel, S. J. Phys. Chem. A 2002, 106, 3524.
25. The Raman spectra corresponding to specific configurations of the incident and scattered light may be easily constructed from the spectra of the isotropic and anisotropic components.
26. Fine, G.; Mirone, P. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1776.
27. Schindler, W.; Sharko, P. T.; Jonas, J. J. Chem. Phys. 1982, 76, 3493.
28. Giorgini, M. G.; Fini, G.; Mirone, P. J. Chem. Phys. 1983, 79, 639.
29. Dybal, J.; Schneider, B. Spectrochim. Acta A 1985, 41, 691.
30. Thomas, H. D.; Jonas, J. J. Chem. Phys. 1989, 90, 4144.
31. Shelley, V. M.; Yarwood, J. Chem. Phys. 1989, 137, 277.
32. Mortensen, A.; Faurskov Nielsen, O.; Yarwood, J.; Shelley, V. J. Phys. Chem. 1994, 98, 5221.
33. f and the off-diagonal force constants.
34. Torii, H. J. Phys. Chem. A 2002, 106, 3281.
35. Torii, H. J. Phys. Chem. A 1999, 103, 2843.