Towards an effective potential for the monomer, dimer, hexamer, solid, and liquid forms of hydrogen fluoride

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 21, 1999, Pages 13699-13706

  Gazzillo, Domenico ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0345617056     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.13699     Document Type: Article

References (49)

1. M. L. Klein and I R. McDonald, J. Chem. Phys.71, 298 (1979).
2. M. E. Cournoyer and W J. Jorgensen, Mol. Phys.51, 119 (1984).
3. P. Jedlovszky and R. Vallauri, Mol. Phys.92, 331 (1997).
4. P. Jedlovszky and R. Vallauri, J. Chem. Phys.107, 10 166 (1997).
5. H. Sun, R O. Watts, and U. Buck, J. Chem. Phys.96, 1810 (1992).
6. W. L. Jorgensen, J. Am. Chem. Soc.100, 7824 (1978).
7. W. L. Jorgensen, J. Chem. Phys.70, 5888 (1979).
8. K. Honda, K. Kitaura, and K. Nishimoto, Bull. Chem. Soc. Jpn.65, 3122 (1992).
9. T. R. Dyke, B J. Howard, and W. Klemperer, J. Chem. Phys.56, 2442 (1972).
10. B. J. Howard, T R. Dyke, and W. Klemperer, J. Chem. Phys.81, 5417 (1984).
11. K. D. Kolebrander, C E. Dykstra, and J M. Lisy, J. Chem. Phys.88, 5995 (1988).
12. A. E. Barton and B J. Howard, Faraday Discuss. Chem. Soc.73, 45 (1982).
13. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure, IV, Constants of Diatomics Molecules (Van Nostrand Reinhold, New York, 1979).
14. M. Kofranek, H. Lishka, and A. Karpfen, Chem. Phys.121, 137 (1988).
15. J. Janzen and L S. Bartell, J. Chem. Phys.50, 3611 (1969).
16. M. W. Johnson, E. Sándor, and E. Arzi, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem.B31, 1998 (1975).
17. M. Deraman, J C. Dore, J G. Powles, J H. Holloway, and P. Chieux, Mol. Phys.55, 1351 (1985).
18. C. E. Vanderzee and W M. Rodenburg, J. Chem. Thermodyn.2, 461 (1970).
19. R. H. Cole, J. Chem. Phys.59, 1545 (1973).
20. B. Desbat and P V. Huong, J. Chem. Phys.78, 6377 (1983).
21. K. A. Peterson and T H. Dunning Jr., J. Chem. Phys.102, 2032 (1995).
22. C. L. Collins, K. Morihashi, Y. Yamaguchi, and H F. Schaefer III, J. Chem. Phys.103, 6051 (1995).
23. P. R. Bunker, M. Kofranek, H. Lishka, and A. Karpfen, J. Chem. Phys.89, 3002 (1988).
24. P. R. Bunker, P. Jensen, A. Karpfen, M. Kofranek, and H. Lishka, J. Chem. Phys.92, 7432 (1990).
25. P. Jensen, P R. Bunker, A. Karpfen, M. Kofranek, and H. Lishka, J. Chem. Phys.93, 6266 (1990).
26. M. Quack and M A. Suhm, Mol. Phys.69, 791 (1990).
27. D. H. Zhang, Q. Wu, J Z H. Zhang, M. von Dirke, and Z. Bačić, J. Chem. Phys.102, 2315 (1995).
28. U. Röthlisberger and M. Parrinello, J. Chem. Phys.106, 4658 (1997).
29. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954).
30. G. F. Signorini, R. Righini, and V. Schettino, Chem. Phys.154, 245 (1991).
31. M. P. Allen and D J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
32. W. H. Press, B P. Flannery, S A. Teukolsky, and W T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1986).
33. W. R. Busing and M. Matsui, Acta Crystallogr., Sect. A: Found. Crystallogr.A40, 532 (1984).
34. S. R. Bourne, The UNIX System (Addison-Wesley, London, 1982).
35. H. C. Andersen, J. Chem. Phys.72, 2384 (1980).
36. D. Brown and J H R. Clarke, Mol. Phys.51, 1243 (1984).
37. J. F. Fox and H C. Andersen, J. Phys. Chem.88, 4019 (1984).
38. L. Verlet, Phys. Rev.159, 98 (1967).
39. G. Ciccotti, M. Ferrario, and J P. Ryckaert, Mol. Phys.47, 1253 (1982).
40. M. S. Child and L. Halonen, Adv. Chem. Phys.57, 1 (1984).
41. C. G. Gray and K E. Gubbins, Theory of Molecular Fluids (Clarendon Press, Oxford, 1984).
42. A. S. Pine and B J. Howard, J. Chem. Phys.84, 590 (1986).
43. A. Karpfen, Int. J. Quantum Chem., Quantum Chem. Symp.24, 129 (1990).
44. J. H. Simons and J W. Bouknight, J. Am. Chem. Soc.54, 129 (1932).
45. I. Sheft, A J. Perkins, and H H. Hyman, J. Inorg. Nucl. Chem.35, 3677 (1973).
46. D. Feller and K A. Peterson, J. Mol. Struct.400, 69 (1997).
47. R. B. Le Blanc, J B. White, and P F. Bernath, J. Mol. Spectrosc.164, 574 (1994).
48. R. L. Redington, J. Chem. Phys.75, 4417 (1981).
49. A. Zunger, J. Chem. Phys.63, 1713 (1975).