A centroid molecular dynamics study of liquid para-hydrogen and ortho-deuterium

Journal of Chemical Physics

Volumn 121, Issue 13, 2004, Pages 6412-6422

  Hone, Tyler D ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CENTROID MOLECULAR DYNAMICS (CMD); CORRELATION FUNCTIONS (CF); GAUSSIAN APPROXIMATION (GA); QUANTUM MODE COUPLING THEORY (QMCT);

APPROXIMATION THEORY; COMPUTER SIMULATION; CORRELATION METHODS; DEUTERIUM; ENTROPY; FUNCTIONS; HYDROGEN; QUANTUM THEORY;

MOLECULAR DYNAMICS;

EID: 7044270823     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1780951     Document Type: Article

References (61)

1. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, Company, New York, 1965).
2. R. P. Feynman, Statistical Mechanics (Addison-Wesley, New York, 1972).
3. G. Baym and D. Mermin, J. Math. Phys. 2, 232 (1960).
4. M. Jarrell and J. E. Gubernatis, Phys. Rep. 269, 134 (1996).
5. S. A. Egorov, E. Gallicohio, and B. J. Berne, J. Chem. Phys. 107, 9312 (1997).
6. E. Gallicchio, S. A. Egorov, and B. J. Berne, J. Chem. Phys. 109, 7745 (1998).
7. E. Rabani, G. Krilov, and B. J. Berne, J. Chem. Phys. 112, 2605 (2000).
8. C. E. Creffield, E. G. Klepfish, E. R. Pike, and S. Sarkar, Phys. Rev. Lett. 75, 517 (1995).
9. M. Boninsegni and D. M. Ceperley, J. Low Temp. Phys. 104, 339 (1996).
10. E. Rabani and D. R. Reichman, J. Chem. Phys. 120, 1458 (2004).
11. E. Gallicchio and B. J. Berne, J. Chem. Phys. 105, 7064 (1996).
12. D. R. Reichman and E. R. Rabani, Phys. Rev. Lett. 87, 265702 (2001).
13. D. R. Reichman and E. R. Rabani, J. Chem. Phys. 116, 6271 (2002).
14. U. Balucani and M. Zoppi, Dynamics of the Liquid State (Oxford University Press, New York, 1994).
15. J. P. Boon and S. Yip, Molecular Hydrodynamics (McGraw-Hill, New York, 1980).
16. J. P. Hansen and I. McDonald, Theory of Simple Liquids (Academic, San Diego, 1986).
17. N. Makri and K. Thompson, Chem. Phys. Lett. 291, 101 (1998).
18. K. Thompson and N. Makri, J. Chem. Phys. 110, 1343 (1999).
19. X. Sun and W. H. Miller, J. Chem. Phys. 110, 6635 (1999).
20. A. Nakayama and N. Makri, J. Chem. Phys. 119, 8592 (2003).
21. S. A. Egorov and J. L. Skinner, Chem. Phys. Lett. 293, 469 (1998).
22. S. A. Egorov, K. F. Everitt, and J. L. Skinner, J. Phys. Chem. A 103, 9494 (1999).
23. J. Cao and G. A. Voth, J. Chem. Phys. 99, 10070 (1993).
24. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5093 (1994).
25. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5106 (1994).
26. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6157 (1994).
27. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6168 (1994).
28. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6184 (1994).
29. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2357 (1999).
30. S. Jang and G. A. Voth, J. Chem. Phys. 111, 2371 (1999).
31. F. J. Bermejo, F. J. Mompean, M. Garcia-Hernandez, J. L. Martinez, D. Martin-Marero, A. Chahid, G. Senger, and M. L. Ristig, Phys. Rev. B 47, 15097 (1993).
32. M. Mukherjee, F. J. Bermejo, B. Fak, and S. M. Bennington, Europhys. Lett. 40, 153 (1997).
33. F. J. Bermejo, B. Fax, S. M. Bennington, R. Fernandez-Perea, C. Cabrillo, J. Dawidowski, M. T. Fernandez-Diaz, and P. Verkerk, Phys. Rev. B 60, 15154 (1999).
34. F. J. Bermejo, K. Kinugawa, C. Cabrillo, S. M. Bennington, M. T. Fernandez-Diaz, P. Verkerk, J. Dawidowski, and R. Fernandez-Perea, Phys. Rev. Lett. 84, 5359 (2000).
35. M. Celli, D. Colognesi, and M. Zoppi, Phys. Rev. E 66, 021202 (2002).
36. M. Zoppi, M. Neumann, and M. Celli, Phys. Rev. B 65, 092204 (2002).
37. D. R. Reichman, P. N. Roy, S. Jang, and G. A. Voth, J. Chem. Phys. 113, 919 (2000).
38. D. A. McQuarrie, Statistical Mechanics (University Science, Sausalito, CA, 2000).
39. S. Miura, S. Okazaki, and K. Kinugawa, J. Chem. Phys. 110, 4523 (1999).
40. K. Kinugawa, Chem. Phys. Lett. 292, 454 (1998).
41. H. Saito, H. Nagao, K. Nishikawa, and K. Kinugawa, J. Chem. Phys. 119, 953 (2003).
42. Y. Yonetani and K. Kinugawa, J. Chem. Phys. 119, 9651 (2003).
43. A. Rahman, K. S. Singwi, and A. Sjolander, Phys. Rev. 126, 986 (1962).
44. L. Frommhold, Collision-induced Absorption in Gases, Cambridge Monographs on Atomic, Molecular, and Chemical Physics, Vol. 2 (Cambridge University Press, London, 1993).
45. C. P. Lawrence, A. Nakayama, N. Makri, and J. L. Skinner, J. Chem. Phys. 120, 6621 (2004).
46. D. W. Oxtoby, Adv. Chem. Phys. 47, 487 (1981).
47. B. J. Berne and G. D. Harp, Adv. Chem. Phys. 17, 63 (1970).
48. S. C. An, C. J. Montrose, and T. A. Litovitz, J. Chem. Phys. 64, 3717 (1976).
49. P. H. Berens, S. R. White, and K. R. Wilson, J. Chem. Phys. 75, 515 (1981).
50. J. S. Bader and B. J. Berne, J. Chem. Phys. 100, 8359 (1994).
51. P. Schofield, Phys. Rev. Lett. 4, 239 (1960).
52. P. A. Egelstaff, Adv. Phys. 11, 203 (1962).
53. I. F. Silvera and V. V. Goldman, J. Chem. Phys. 69, 4209 (1978).
54. D. J. Scharf, G. J. Martyna, and M. L. Klein, J. Low Temp. Phys. 19, 365 (1993).
55. J. Cao and G. J. Martyna, J. Chem. Phys. 104, 2028 (1996).
56. M. Pavese and G. A. Voth, Chem. Phys. Lett. 249, 231 (1996).
57. A. Calhoun, M. Pavese, and G. A. Voth, Chem. Phys. Lett. 262, 415 (1996).
58. Y. Yonetani and K. Kinugawa, J. Chem. Phys. 120, 10624 (2004).
59. E. Rabani, D. R. Reichman, G. Krilov, and B. J. Berne, PNAS 99, 1129 (2002).
60. E. Rabani and D. R. Reichman, Europhys. Lett. 60, 656 (2002).
61. B. N. Esel'son, Y. P. Blagoi, V. V. Grigor'ev, V. G. Manzhelii, S. A. Mikhailenko, and N. P. Neklyudov, Properties of Liquid and Solid Hydrogen (Israel Program for Scientific Translations, Jerusalem, 1971).