Velocity correlations in liquid hydrogen fluoride

Journal of Chemical Physics

Volumn 111, Issue 10, 1999, Pages 4663-4671

  Balucani, U ^a   Bertolini, D ^a   Sutmann, G ^b   Tani, A ^c   Vallauri, R ^d  

^a CNR   (Italy)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c UNIVERSITY OF PISA   (Italy)

^d UNIVERSITY OF TRENTO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001162564     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479228     Document Type: Article

References (16)

1. See, e.g., A. K. Soper, F. Bruni, and M. A. Ricci, J. Chem. Phys. 106, 247 (1997);
2. V. Röthlisberger and M. Parrinello, ibid. 106, 4658 (1997).
3. P. Jedlovszky and R. Vallauri, Mol. Phys. 93, 15 (1998).
4. D. E. O'Reilly, J. Chem. Phys. 49, 5416 (1968).
5. U. Balucani, G. Ruocco, A. Torcini, and R. Vallauri, Phys. Rev. E 47, 1677 (1993).
6. D. Bertolini, G. Sutmann, A. Tani, and R. Vallauri, Phys. Rev. Lett. 81, 2080 (1998).
7. P. Jedlovszky and R. Vallauri, Mol. Phys. 92, 331 (1997).
8. J. P. Ryckaert, G. Ciccotti, and A. Bellemans, J. Comput. Phys. 23, 327 (1977).
9. P. Jedlovszky and R. Vallauri, J. Chem. Phys. 107, 10166 (1997).
10. J. P. Ryckaert, A. Bellemans, and G. Ciccotti, Mol. Phys. 44, 979 (1981).
11. In a molecular fluid, the same oscillations are usually referred to as "stretching" intermolecular motions of neighboring molecules.
12. -1) has been traditionally attributed to a O-O-O "bending" mode. More recently, contrasting assignments have been proposed for this spectral feature [see, J. Martí, J. A. Padró, and E. Guardia, J. Chem. Phys. 105, 639 (1996);
13. G. Sutmann and R. Vallauri, J. Phys.: Condens. Matter 10, 9231 (1998)].
14. 2. In sur simulations the difference lies below the statistical noise, indicating that on a time scale of a few ps nearest-neighbor molecules remain basically the same. Consequently, the constraint on the summation in Eq. (27) causes no ambiguity.
15. D. Bertolini, A. Tani, and R. Vallauri, Mol. Phys. 73, 69 (1991).
16. It is interesting to note that a rather slow decay of orientational correlations has also been reported in liquid methanol [E. Guardia, G. Sesé, and J. A. Padró, J. Mol. Liq. 62, 1 (1994)]. Although this system has a hydrogen bond weaker than HF, the structural arrangement of the molecules in irregular chains is similar.