Quantum mode-coupling theory: Formulation and applications to normal and supercooled quantum liquids

Annual Review of Physical Chemistry

Volumn 56, Issue , 2005, Pages 157-185

  Rabani, Eran ^a   Reichman, David R ^b,c  

^a TEL AVIV UNIVERSITY   (Israel)

^b HARVARD UNIVERSITY   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Normal and supercooled quantum liquids; Path integral Monte Carlo; Quantum dynamics

Indexed keywords

COMPUTER SIMULATION; GLASS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; REAL TIME SYSTEMS; SUPERCOOLING;

NORMAL AND SUPERCOOLED QUANTUM LIQUIDS; PATH INTEGRAL MONTE CARLO; QUANTUM DYNAMICS; QUANTUM GLASSY LIQUIDS;

QUANTUM THEORY;

DEUTERIUM; HYDROGEN; SOLVENT;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; MICROFLUIDICS; MONTE CARLO METHOD; QUANTUM THEORY; THERMODYNAMICS; TIME;

DEUTERIUM; HYDROGEN; MICROFLUIDICS; MONTE CARLO METHOD; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS; TIME;

EID: 18744402122     PISSN: 0066426X     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.physchem.56.092503.141138     Document Type: Article

References (119)

1. Berne BJ, Harp GD. 1970. Adv. Chem. Phys. 17:63-277
2. Balucani U, Zoppi M. 1994. Dynamics of the Liquid State. Oxford: Clarendon
3. Boon JP, Yip S. 1980. Molecular Hydro-dynamics. New York: McGraw-Hill
4. Hansen JP, McDonald IR. 1986. Theory of Simple Liquids. San Diego: Academic
5. Götze W. 1991. In Liquids, Freezing and Glass Transition, ed. JP Hansen, D Levesque,J Zinn-Justin, 1:287-504. Am-sterdam: North-Holland
6. Götze W, Sjögren L. 1992. Rep. Progr. Phys. 55:241-376
7. Kob W. 1999. J. Phys. Cond. Matter 11:R85-115
8. Heller EJ. 1975. J. Chem. Phys. 62:1544-55
9. Miller WH. 1986. Science 233:171-77
10. Gerber RB, Ratner MA. 1988.Arfv. Chem. Phys. 74:97-132
11. Tully JC. 1990. J. Chem. Phys. 93:1061-71
12. Heller EJ. 1991.J. Chem. Phys. 94:2723-29
13. Webster FJ, Rossky PJ, Friesner RA. 1991. Comput. Phys. Commun. 63:494-522
14. CokerDF. 1993. In Computer Simulation in Chemical Physics, ed. MP Allen, DJ Tildesley, p. 315-77. Dordrecht: Kluwer Acad.
15. Krylov AI, Gerber RB, Apkarian VA. 1994. Chem. Phys. 189:261-72
16. Coker DF, Xiao L. 1995. J. Chem. Phys. 102:496-510
17. Martinez TJ, Ben-Nun M, Levine RD. 1997. J. Phys. Chem. A 101:6389
18. Martens CC, Fang JY. 1997. J. Chem. Phys. 106:4918-30
19. KapralR, Ciccotti G. 1999.J. Chem.Phys. 110:8919-29
20. Herman MF. 1999. J. Chem. Phys. 110: 4141-51
21. Egorov SA, Rabani E, Berne BJ. 1999.J. Phys. Chem. B 103:10978-91
22. Miller WH. 2001. J. Phys. Chem. A 105: 2942-55
23. Makri N. 2004. J. Phys. Chem. A 108: 806-12
24. Cao JS, Voth GA. 1994. J. Chem. Phys. 100:5093-105
25. Cao JS, Voth GA. 1994. J. Chem. Phys. 100:5106-17
26. VothGA. 1996. Adv. Chem. Phys. 93:135-218
27. Jang S, Voth GA. 1999. J. Chem. Phys. 111:2371-84
28. Shi Q, Geva E. 2003. J. Chem. Phys. 118:8173-84
29. Gallicchio E, Berne BJ. 1994. J. Chem. Phys. 101:9909-18
30. Creffield CE, Klepfish EG, Pike ER, Sarkar S. 1995. Phys. Rev. Lett. 75:517-20
31. Boninsegni M, Ceperley DM. 1996. J. Low Temp. Phys. 104:339-57
32. Gallicchio E, Berne BJ. 1996. J. Chem. Phys. 105:7064-78
33. Jarrell M, Gubernatis JE. 1996. Phys. Rep. 269:134-95
34. Gallicchio E.Egorov SA, Berne BJ. 1998. J. Chem. Phys. 109:7745-55
35. Rabani E, Krilov G, Berne BJ. 2000. J. Chem. Phys. 112:2605-14
36. Sim E, Krilov G, Berne BJ. 2001. J. Phys. Chem. 105:2824-33
37. Krilov G, Sim E, Berne BJ. 2001. Chem. Phys. 268:21-34
38. Golosov AA, Reichman DR, Rabani E. 2003. J. Chem. Phys. 118:457-60
39. Chandler D, Wolynes PG. 1981. J. Chem. Phys. 56:4078-95
40. Berne BJ, Thirumalai D. 1986. Annu. Rev. Phys. Chem. 37:401-24
41. Götze W, Lücke M. 1976. Phys. Rev. B 13:3822-24
42. Götze W, Lücke, M. 1976. Phys. Rev. B 13:3825-42
43. Rabani E, Reichman DR. 2002. Phys. Rev. E 65:036111
44. Reichman DR, Rabani E. 2001. Phys. Rev. Lett. 87:265702
45. Rabani E, Reichman DR. 2002. J. Chem. Phys. 116:6271-78
46. Reichman DR, Rabani E. 2002. J. Chem. Phys. 116:6279-85
47. Rabani E, Reichman DR. 2002. Europhys. Lett. 60:656-62
48. Rabani E. 2003. Quantum Mode Coupling Theory and Path Integral Monte Carlo. AIP Conf. Proc. 690:281-88
49. Rabani E, Reichman DR. 2004. J. Chem. Phys. 120:1458-65
50. Ediger MD, Angell CA, Nagel SR. 1996. J. Phys. Chem. 100:13200-12
51. Ediger MD. 2000. Annu. Rev. Phys. Chem. 51:99-128
52. Yamamoto R, Kob W. 2000. Phys. Rev. E 61:5473-76
53. De Michele C, Sciortino F. 2002. Phys. Rev. E65:051202
54. Brumer Y, Reichman DR. 2004. Phys. Rev. E 69:041202
55. Brumer Y, Reichman DR. 2004. J. Phys. Chem. B 108:6832-37
56. Wu W, Ellman B, Rosenbaum TF, Aeppli G, Reich DH. 1995. Phys. Rev. Lett. 67:2076-79
57. Cugliandolo LF, Lozano G. 1998. Phys. Rev. Lett. 80:4979-82
58. Cugliandolo LF, Lozano G. 1999. Phys. Rev. B 59:915-42
59. Kennett MP, Chamon C, Ye JW. 2001. Phys. Rev. B 64:224408
60. Biroli G, Parcollet O. 2002. Phys. Rev. B 65:094414
61. Rabani E, Miyazaki K, Reichman DR. 2005. J. Chem. Phys. 122:034502
62. Sjögren L, SjölanderA. 1979. J. Phys. C 12:4369-92
63. Sjögren L. 1980. Phys. Rev. A 22:2866-82
64. Sjögren L. 1980. Phys. Rev. A 22:2883-90
65. Rabani E, Reichman DR. 2001. J. Phys. Chem. B 105:6550-55
66. Kubo R, Toda M, Hashitsume N. 1995. Statistical Physics II. Solid State Sciences. Berlin: Springer-Verlag. 2nd ed.
67. Zwanzig R. 1961. In Lectures in Theoretical Physics, III:135. New York: Wiley, pp. 106-41
68. Mori H. 1965. Prog. Theor. Phys. 33:423
69. Mori H. 1965. Prag. Theor. Phys. 34:399
70. Bösse J, Henel M. 1991. Ber. Bunsenges. Phys. Chem. 95:1007-14
71. Bagchi B, Biswas R. 1999. Adv. Chem. Phys. 109:207-433
72. Egorov SA, Denny RA, Reichman DR. 2002. J. Chem. Phys. 116:5080-89
73. Egorov SA. 2003. J. Chem. Phys. 118: 10643-50
74. Bhattacharyya S, Bagchi B. 1997. J. Chem. Phys. 106:1757-63
75. Shental N, Rabani E. 2004. J. Chem. Phys. 120:6642-47
76. Denny RA, Reichman DR. 2001. Phys. Rev. E 63:065101
77. Denny RA, Reichman DR. 2002. J. Chem. Phys. 116:1979-86
78. Denny RA, Reichman DR. 2002. J. Chem. Phys. 116:1987-94
79. Chong SH, Hirata F. 1998. Phys. Rev. E 58:7296-308
80. Schofield J, Lim R, Oppenheim I. 1992. Physica A 181:89-135
81. Liu CZW, Oppenheim I.1997. Physica A 235:369-87
82. Reichman DR, Roy PN, Jang S, Voth GA. 2000. J. Chem. Phys. 113:919-29
83. Jackson HW, Feenberg E. 1962. Rev. Mod. Phys. 34:686-93
84. Schulman LS. 1981. Techniques and Applications of Path Integration. New York: Wiley
85. Ceperley DM. 1995. Rev. Mod. Phys. 67:279-355
86. Sindzingre P, Ceperley DM, Klein ML. 1991. Phys. Rev. Lett. 67:1871-74
87. Rabani E, Reichman DR, Krilov G, Berne BJ. 2002. Proc. Natl. Acad. Sci. USA 99: 1129-33
88. Pavese M, Voth GA. 1996. Chem. Phys. Lett. 249:231-36
89. Bermejo FJ, Kinugawa K, Cabrillo C, Bennington SM, Fak B, et al. 2000. Phys. Rev. Lett. 84:5359-62
90. Celli M, Colognesi D, Zoppi M. 2002. Phys. Rev. E66:021202
91. Zoppi M, Neumann M, Celli M. 2002. Phys. Rev. B 65:092204
92. Kinugawa K. 1998. Chem. Phys. Lett. 292:454-60
93. Yonetani Y, Kinugawa K. 2003. J. Chem. Phys. 119:9651-60
94. Yonetani Y, Kinugawa K. 2004. J. Chem. Phys. 120:10624-33
95. Blinov N, Roy PN. 2004. J. Chem. Phys. 120:3759-64
96. Nakayama A, Makri N. 2003. J. Chem. Phys. 119:8592
97. Hone TD, Voth GA. 2004. J. Chem.Phys. 121:6412-22
98. Deleted in proof
99. Bermejo FJ, Mompean FJ, Garcia-Her-nandez M, Martinez JL, Martin-Marero D, et al. 1993. Phys. Rev. B 47:15097-112
100. Zoppi M, Bafile U, Guarini E,Barocchi F, Magli R, Neumann M. 1995. Phys. Rev. Lett. 75:1779-82
101. Zoppi M, Ulivi L, Santoro M, Moraldi M, Barocchi F. 1996. Phys. Rev. A 53:R1935-38
102. Mukherjee M, Bermejo FJ, Fak B, Bennington SM. 1997. Europhys. Lett. 40:153-58
103. Bermejo FJ, Fak B, Bennington SM, Femandez-Perea R, Cabrillo C, et al. 1999. Phys. Rev. B 60:15154-62
104. Zoppi M, Colognesi D, Celli M. 2001. Eu-rophys. Lett. 53:34-39
105. Silvera IF, Goldman VV. 1978. J. Chem. Phys. 69:4209-13
106. Silvera IF. 1980. Rev. Mod. Phys. 52:393-452
107. Casas J.Gonzalez DJ, Gonzalez LE. 1999. Phys. Rev. B 60:10094-106
108. Casas J, Gonzalez DJ, Gonzalez LE, Alemany MMG, Gallego LJ. 2000. Phys. Rev. B 62:12095-106
109. Pollock EL, Ceperley DM. 1984. Phys. Rev. B 30:2555-68
110. Allen MP, Tildesley DJ. 1987. Computer Simulation of Liquids. Oxford: Clarendon
111. Scharf D, Martyna G, Klein ML. 1993. J. Low. Temp. Phys. 19:365-69
112. Epperlein F, Schreiber M, Vojta T. 1997. Phys. Rev. B 56:5890-96
113. Vaknin A, Ovadyahu Z, Pollak M. 2000. Phys. Rev. Lett. 84:3402-5
114. Rabani E, Gezelter JG, Berne BJ. 1999. Phys. Rev. Lett. 82:3649-52
115. Kob W, Andersen HC. 1995. Phys. Rev. E 51:4626-41
116. Kob W, Andersen HC. 1995. Phys. Rev. E 52:4134-53
117. Nauroth M, Kob W. 1997. Phys. Rev. E 55:657-67
118. Kob W, Nauroth M, Sciortino F. 2002. J. Non-Cryst. Solids 307:181-87
119. Gordillo MC, Ceperley DM. 1997. Phys. Rev. Lett. 79:3010-13