Thermodynamics and equilibrium structure of Ne38 cluster: Quantum mechanics versus classical

Journal of Chemical Physics

Volumn 122, Issue 15, 2005, Pages

  Predescu, Cristian ^a   Frantsuzov, Pavel A ^b   Mandelshtam, Vladimir A ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM PROPERTIES; SOLID-LIQUID TRANSITIONS; STRUCTURAL TRANSFORMATIONS; WAVE PACKETS;

APPROXIMATION THEORY; COMPUTER SIMULATION; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PHASE EQUILIBRIA; PHASE TRANSITIONS; QUANTUM THEORY; SPECIFIC HEAT; THERMODYNAMIC PROPERTIES;

NEON;

EID: 20844442416     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1860331     Document Type: Article

References (49)

1. C. Predescu, D. Sabo, J. D. Doll, and D. L. Freeman J. Chem. Phys. 119, 12119 (2003);
2. D. Sabo, C. Predescu, J. D. Doll, and D. L. Freeman, J. Chem. Phys. 121, 856 (2004).
3. J. P. Neirotti, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 112, 3990 (2000);
4. G. E. Lopez, J. Chem. Phys. 117, 2225 (2002);
5. C. Parletta, C. Guidotti, and G. P. Arrighini, Theor. Chem. Acc. 111, 407 (2004).
6. F. Calvo, J. P. K. Doye, and D. J. Wales, J. Chem. Phys. 114, 7312 (2001).
7. D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 97, 5713 (1992);
8. T. L. Beck, J. D. Doll, and D. L. Freeman, J. Chem. Phys. 90, 5651 (1989);
9. S. W. Rick, D. L. Leitner, J. D. Doll, D. L. Freeman, and D. D. Frantz, J. Chem. Phys. 95, 6658 (1991).
10. J. P. K. Doye, D. J. Wales, and R. S. Berry, J. Chem. Phys. 103, 4234 (1995);
11. J. Pillardy and L. Piela, J. Phys. Chem. 99, 11805 (1995);
12. S. Gomez and D. Romero, Proceedings of the First European Congress of Mathematics., edited by, A. Joseph, (Birkhauser, 1994), Vol. III, pp. 503-509.
13. J. A. Northby, J. Chem. Phys. 87, 6166 (1987).
14. P. Frantsuzov and V. A. Mandelshtam, J. Chem. Phys. 121, 9247 (2004).
15. C. Predescu and J. D. Doll, J. Chem. Phys. 117, 7448 (2002).
16. C. Predescu, Phys. Rev. E 69, 056701 (2004).
17. C. Predescu, preprint, http://xxx.lanl.gov/abs/cond-mat/0411048
18. M. Takahashi and M. Imada, J. Phys. Soc. Jpn. 53, 3765 (1984);
19. D. M. Ceperley, Rev. Mod. Phys. 67, 279 (1995).
20. D. M. Ceperley Rev. Mod. Phys. 67, 279, (1995);
21. W. Janke and T. Sauer, Chem. Phys. Lett. 201, 499, (1993);
22. W. Janke and T. Sauer, Chem. Phys. Lett. 263, 488, (1996).
23. C. J. Geyer, in Computing Science and Statistics, Proceedings of the 23rd Symposium on the Interface, edited by, E. M. Keramigas, (Interface Foundation, Fairfax, 1991), pp. 156-163; K. Hukushima and K. Nemoto, J. Phys. Soc. Jpn. 65, 1604 (1996).
24. C. J. Geyer, in Computing Science and Statistics, Proceedings of the 23rd Symposium on the Interface, edited by, E. M. Keramigas, (Interface Foundation, Fairfax, 1991), pp. 156-163; K. Hukushima and K. Nemoto, J. Phys. Soc. Jpn. 65, 1604 (1996).
25. P. Frantsuzov, A. Neumaier, and V. A. Mandelshtam, Chem. Phys. Lett. 381, 117 (2003).
26. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
27. E. J. Heller, J. Chem. Phys. 64, 63 (1976);
28. E. J. Heller, J. Chem. Phys. 65, 4979 (1976).
29. E. J. Heller, J. Chem. Phys. 75, 2923 (1981).
30. S. Sawada, R. Heather, B. Jackson and H. Metiu, J. Chem. Phys. 83, 3009 (1985);
31. R. Heather and H. Metiu, J. Chem. Phys. 84 3250 (1986).
32. B. Hessling, S. Sawada, and H. Metiu, Chem. Phys. Lett. 122, 303 (1985).
33. R. D. Coalson and M. Karplus, J. Chem. Phys. 93, 3919 (1990).
34. I. Burghart, H.-D. Meyer and L. S. Cederbaum, J. Chem. Phys. 111, 2927 (1999);
35. G. A. Worth and I. Burghart, Chem. Phys. Lett. 368, 502 (2003).
36. A. E. Cardenas, R. Krems, and R. D. Coalson, J. Phys. Chem. A 103, 9469 (1999).
37. H. Feldmeier and J. Schnack, Rev. Mod. Phys. 72, 655 (2000).
38. M. Ben-Nun and T. J. Martinez, J. Chem. Phys. 112, 6113 (2000).
39. V. Buch, J. Chem. Phys. 117, 4738 (2002).
40. J. P. K. Doye, M. A. Miller, and D. J. Wales, J. Chem. Phys. 110, 6896 (1999);
41. J. P. K. Doye, M. A. Miller, and D. J. Wales, J. Chem. Phys. 111, 8417 (1999).
42. J. P. Neirotti, F. Calvo, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 112, 10340 (2000);
43. F. Calvo, J. P. Neirotti, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 112, 10350 (2000).
44. J. K. Lee, J. A. Barker, and F. F. Abraham, J. Chem. Phys. 58, 3166 (1973).
45. D. Sabo, D. L. Freeman, and J. D. Doll (unpublished).
46. F. H. Stillinger and T. A. Weber, Phys. Rev. A 28, 2408 (1983);
47. C. J. Tsai and K. D. Jordan, J. Phys. Chem. 97, 11227 (1993);
48. F. H. Stillinger, Phys. Rev. E 59, 48 (1999).
49. N. Corbin and K. Singer, Mol. Phys. 46, 671 (1982).