Simulating molecular properties of liquid crystals

Advances in Chemical Physics

Volumn 109, Issue , 1999, Pages 39-113

  Crain, J ^a   Komolkin, A V ^b  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002312342     PISSN: 00652385     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article

References (192)

1. P. DeGennes and J. Prost, The Physics of Liquid Crystals, 2nd ed., Clarendon Press, Oxford, 1993.
2. S. Chandrasekhar, Liquid Crystals, 2nd ed., Cambridge University Press, Cambridge, 1992.
3. H. Arnold, Z. Phys. Chem. 226, 146 (1964).
4. D.C. Burns, I. Underwood, J. Gourlay, A. Ohara, and D.G. Vass, Optics Commun. 119, 62 (1995).
5. L. Onsager, Ann. N.Y. Acad. Sci. 51, 627 (1949).
6. G. W. Gray and G. R. Luckhusrt, in The Molecular Physics of Liquid Crystals, NATO Advanced Study Institute (ASI), Academic Press, London, 1979.
7. A. Ferrarini and G. Moro and P. Nordio, Mol. Phys. 87, 485 (1996).
8. J. Serrano, Metallomesogens, Wiley-VCH, London, 1998.
9. G.S. Attard, R.W. Date, C.T. Imrie, G.R. Luckhurst, S.J. Roskilly, and J.M. Seddon, Liquid Crystals 16, 529 (1994).
10. S. McGrother, R. Sear, and G. Jackson , J. Chem. Phys. 106, 731 (1997).
11. I. Khoo and S. Wu, Optics and Nonlinear Optics of Liquid Crystals, 1st ed., World Scientific, Singapore, 1993.
12. S. Elston and R. Sambles, The Optics of Thermotropic Liquid Crystals, Taylor and Francis, London, 1998.
13. A. Hauser, G. Pelzyl, C. Selbmann, D Demus, S. Grande, and A.G. Petrov, Mol. Cryst. Liq. Cryst. 91, 97 (1983).
14. P. Flory and P. Navard, J. Chem. Soc. Faraday Trans. 82, 3381 (1986).
15. D. Dunmur and A. Tomes, Mol. Cryst. Liq. Cryst. 97, 241 (1983).
16. W. de Jeu, Solid State Physics Suppl. 14, Academic Press, New York, 1978.
17. S. Urban and A. Würflinger, Adv. Chem. Phys. 96, 143 (1997).
18. A. Drozd-Rzoska, S. Rzoska, and J. Ziolo, Phys. Rev. E 54, 6452 (1996).
19. G. LaPenna, D. Catalano, and C. Veracini, J. Chem. Phys. 105, 7097 (1996).
20. D. Grasso, C. Gandolfo, S. Fasone, and C. LaRosa, Mol. Cryst. Liq. Cryst. 221, 85 (1989).
21. J. Goodby, SPIE 64, 52 (1986).
22. W. Robinson, P. Kloess, C. Carboni, and H. Coles, Liquid Crystals 23, 309 (1997).
23. L. Chan, G. Gray, and D. Lacey, Mol. Cryst. Liq. Cryst. 123, 185 (1985).
24. S. Chandrashekar, Advances in Liquid Crystals, Academic Press, New York, 1976.
25. R. Sashidar and S. Chandrasekhar, J. Phys. (Paris) 36, 1 (1975).
26. I. Molomiets, A. Ovsipyan, and S. Fillipov, Mol. Cryst. Liq. Cryst. 301, 343 (1997).
27. A. Derzhanski and A. Petrov, Acta Physica Polonica A55, 747 (1979).
28. M. Miesowicz, Nature 158, 27 (1946).
29. D. Langevin, J. Phys. (Paris) 33, 249 (1979).
30. A. Chemielewski, Mol. Cryst. Liq. Cryst. 132, 339 (1986).
31. A. Leadbetter, F. Temme, A. Heidemann, and W. Howells, Chem. Phys. Lett. 34, 363 (1975).
32. W. C.-K. Poon and P. Warren, Europhys. Lett. 28, 513 (1994).
33. M. Allen, G. Evans, D. Frenkel, and B. Mulder, Adv. Chem. Phys. 86, 1 (1993).
34. M. Vanbruggen, F. Vanderkooij, and H. Lekkerkerkeer, J. Phys. Cond. Mat. 8, 9451 (1996).
35. D. Frenkel and B. Mulder, Mol. Phys. 55, 1171 (1985).
36. D. Frenkel, J. Phys. Chem. 92, 3280 (1988).
37. D. Frenkel, H. Lekkerkerker, and D. Stroobants, Nature 332, 822 (1988).
38. D. Frenkel, B. Mulder, and J. McTague, Phys. Rev. Lett. 52, 287 (1984).
39. J. A. C. Veermen and D. Frankel, Phys. Rev. A 41, 3237 (1990).
40. D. Frenkel, Liquid Crystals 5, 929 (1989).
41. S. McGrother, D. Williamson, and G. Jackson, J. Chem. Phys. 104, 6755 (1996).
42. P. Bolhuis and D. Frenkel, J. Chem. Phys. 106, 666 (1997).
43. M. Allen and D. Frenkel, Phys. Rev. Lett. 58, 1748 (1987).
44. P. Camp and M. Allen, J. Chem. Phys. 106, 6681 (1997).
45. M. Allen, Liquid Crystals 8, 499 (1990).
46. M. Allen and D. Frenkel, Phys. Rev. A 37, 1813 (1988).
47. M. Allen and D. Frenkel, Phys. Rev. A 42, 3641 (1990).
48. M. P. Allen, P. J. Camp, C. P. Mason, G. T. Evans, and A. J. Masters, J. Chem. Phys. 105, 11175 (1996).
49. S. Tang, G. Evans, C. Mason, and M. Allen, J. Chem. Phys. 102, 3794 (1995).
50. M. Allen, Phys. Rev. Lett. 65, 2881 (1990).
51. D. Vaidya, D. Kofke, S. Tang, G. Evans, Mol. Phys. 83, 101 (1994).
52. R. van Rioj, P. Bolhuis, B. Mulder, D. Frenkel, Phys. Rev. E 52, 1277 (1995).
53. J. vanDuijneveldt and M. Allen, Mol. Phys. 90, 243 (1997).
54. B. Swanson and L. Sorenson, Phys. Rev. Lett. 75, 3293 (1995).
55. E. deMiguel, L. Rull, M. Chalam, and K. Gubbins, J. Chem. Phys. 74, 405 (1991).
56. J. Gay and B. Berne, J. Chem. Phys. 74, 3316 (1981).
57. J. Corner, Phys. Rev. E 192, 275 (1948).
58. S. Walmsley, Chem. Phys. Lett. 49, 320 (1977).
59. G. Luckhurst and P. Simmonds, Mol. Phys. 80, 233 (1993).
60. L. Rull, Physica A 220, 113 (1995).
61. G. Luckhurst, R. Stevens, and R. Phippen, Liquid Crystals 8, 451 (1990).
62. E. DeMiguel, E. M. Delrio, J. T. Brown, and M. P. Allen, Mol. Phys. 72, 593 (1991).
63. E. DeMiguel, E. Delrio, J. Brown, and M. P. Allen, J. Chem. Phys. 105, 4234 (1996).
64. R. Berardi, A. Emerson, and C. Zannoni, J. Chem. Phys. 89, 4096 (1993).
65. J. McColl and C. Shih, Phys. Rev. Lett. 29, 85 (1972).
66. R. Tranfield and P. Collins, Phys. Rev. A 29, 2744 (1982).
67. R. Horn and T. Faber, Proc. Roy. Soc. 25, 199 (1979).
68. J. Emsley and G. Luckhurst, and B. Timini, J. Phys. 48, 473 (1987).
69. M. Bates and G. Luckhurst, Chem. Phys. Lett. 281, 193 (1997).
70. M. Allen and M. Warren, Phys. Rev. E 78, 1291 (1997).
71. D. Cleaver, C. Care, M. Allen, and M.P. Neal, Phys. Rev. E 54, 559 (1996).
72. R. Bemrose, C. Care, D. Cleaver, and M. Neal, Mol. Phys. 90, 625 (1997).
73. H. Lekkerkerker, P. Coulon, R. van der Haegen, and R. Debliek, J. Chem. Phys. 80, 3427 (1984).
74. T. Slukin, Liquid Crystals 6, 111 (1989).
75. S. Sarman, Computers Phys. 104, 342 (1996).
76. R. Berardi, C. Fava, and C. Zannoni, Chem. Phys. Lett. 236, 462 (1995).
77. J. Stelzer , M. Bates, L. Longa, and G. Luckhurst, J. Chem. Phys. 107, 7483 (1997).
78. M. P. Allen, P. J. Camp, C. P. Mason, G. T. Evans, and A. J. Masters, J. Phys. Cond. Mat. 8, 9433 (1996).
79. M. P. Allen, M. A. Warren, M. R.Wilson, A. Sauron, and W. Smith, J. Phys. Cond. Mat. 105, 2850 (1996).
80. J. Stelzer, L. Longa, and H. Trebin, Mol. Cryst. Liq. Cryst. 262, 455 (1995).
81. P. Teixeira, V. Pergamenshchik, T. Slukin, Mol. Phys. 80, 1339 (1993).
82. E. de Miguel, L. Rull, and K. Gubbins, Phys. Rev. A 45, 3813 (1992).
83. A. Smondyrev, G. Loriot, and R. Pelcovitz, Phys. Rev. Lett. 75, 2340 (1995).
84. S. Sarman, Physica A 240, 160 (1997).
85. S. Sarman, J. Chem. Phys. 99, 9021 (1993).
86. S. Sarman, J. Chem. Phys. 101, 480 (1994).
87. S. Zumer, P. Ziherl, and M. Vilfan, Mol. Cryst. Liq. Cryst. 292, 39 (1997).
88. G. Crawford and S. Zumer, Liquid Crystals in Complex Geometries, Taylor and Francis, London, 1996.
89. A. Emerson and C. Zannoni, J. Chem. Soc. Faraday Transactions 91, 3441 (1995).
90. M. Bates and C. Zannoni, Chem. Phys. Lett. 280, 40 (1997).
91. A. Rapini and M. Papoular, J. Phys. 30, 4 (1969).
92. Z. Zhang, A. Chakrabarti, O. Mouritsen, and M. Zuckermann, Phys. Rev. E 53, 2461 (1996).
93. J. Stelzer, L. Longa, and H. Trebin, Phys. Rev. E 55, 7085 (1997).
94. V. Palermo, F. Biscarini, and C. Zannoni, Phys. Rev. E 57, 2519 (1998).
95. W. Steele, Surf. Sci. 36, 317 (1973).
96. A.J. Leadbetter, F.P. Temme, A. Heidemann, and W.S. Howells, J. Phys. 40, 375 (1979).
97. P. Cladis, Phys. Rev. Lett. 35, 48 (1975).
98. A. GilVillegas, S. McGrother, and G. Jackson, Mol. Phys. 92, 723 (1997).
99. A. Vanakaras and D. Photinos, Mol. Phys. 85, 1089 (1995).
100. C. Vega and S. Lago, J. Chem. Phys. 100, 6727 (1994).
101. D. Williamson and F. DelRio, J. Chem. Phys. 107, 9549 (1997).
102. S. McGrother, A. Gilvillegas, and G. Jackson, J. Phys. Cond. Mat. 8, 9649 (1996).
103. S. McGrother, G. Jackson, and D. Photinos, Mol. Phys. 91, 751 (1997).
104. K. Satoh, S. Mita, and S. Kondo, Liquid Crystals 20, 757 (1996).
105. K. Satoh, S. Mita, and S. Kondo, Chem. Phys. Lett. 255, 99 (1996).
106. A. Gilvillegas, S. McGrother, and G. Jackson, Chem. Phys. Lett. 269, 441 (1997).
107. P. Teixeira, M. Osipov, and M. daGama, Phys. Rev. E 57, 1752 (1998).
108. R. Berardi, S. Orlandi, and C. Zannoni, Chem. Phys. Lett. 261, 357 (1996).
109. J. Weis, D. L. D, and Zarragoicoechea, Mol. Phys. 80, 1077 (1993).
110. J. Weiss and Zarragoicoechea, Phys. Rev. Lett. 69, 913 (1992).
111. E. Gwozdz, A. Brodka, and K. Pasterny, Chem. Phys. Lett. 267, 557 (1997).
112. G. Ayton, D. Wei, and G. Patey, Phys. Rev. E 55, 447 (1997).
113. D. Wei and G. Patey, Phys. Rev. Lett. 68, 2043 (1992).
114. G. barbero, L. Evangelista, and S. Ponti, Phys. Rev. E 54, 4442 (1996).
115. M. Osipov, T. Slukin, and S. Cox, Phys. Rev. E 55, 464 (1997).
116. M. Bates and G. Luckhurst, Liquid Crystals 24, 229 (1998).
117. M. Neal, A. Parker, and C. Car, Mol. Phys. 91, 603 (1997).
118. A. Vanderschoot, J. Phys. 6, 1557 (1996).
119. A. Tkachenko, Phys. Rev. Lett. 77, 4218 (1996).
120. G. Evans, Mol. Phys. 87, 239 (1996).
121. J.W. Emsley, G. Celebre, G. DeLuca, M. Longeri, and F. Lucchessini, Liquid Crystals 16, 1037 (1994).
122. T. R. Bose, D. Ghose, C. D. Mokerjee, S. Saha, and M. Saha, Phys. Rev. A 43, 4372 (1991).
123. R. Podsiadly, J. Janik, J. Janik, and K. Otnes, Liquid Crystals 14, 1519 (1993).
124. R. Podsiadly, J. Mayer, J.A. Janik, J. Krawczyk, and T. Stanek, Acta. Phys. Polonica 91, 513 (1997).
125. S. Yakovenko, G. Krömer, and A. Geiger, Mol. Cryst. Liq. Cryst. 275, 91 (1996).
126. H. Hsueh, H. Vass, & J. Clark, F. Y. Pu, W. C-K. Poon, and J. Crain, Europhys. Lett. 38, 107 (1997).
127. F. Hide, N.A. Clark, K. Nito, A. Yasuda, and D.M. Walba, Phys. Rev. Lett. 75, 2344 (1995).
128. A. L. Verma, B. Zhao, S. M. Jiang, J. C. Sheng, and Y. Ozaki, Phys. Rev. E 56, 3053 (1997).
129. M. Wilson, J. Mol. Liquids 68, 23 (1996).
130. A. Komolkin, A. Laaksonen, and A. Maliniak, J. Chem. Phys. 101, 4103 (1994).
131. M. Wilson and M. Allen, Mol. Phys. 80, 277 (1993).
132. M. Wilson and M. Allen, Liquid Crystals 12, 157 (1992).
133. J. vanDuijneveldt and M. Allen, Mol. Phys. 92, 855 (1997).
134. F. Affouard, M. Kroger, and S. Hess, Phys. Rev. E 54, 5178 (1996).
135. M. Yoshida and H. Toriumi, Mol. Cryst. Liq. Cryst. 262, 525 (1995).
136. K. Nicklas, P. Bopp, and J. Brickmann, J. Chem. Phys. 101, 3157 (1994).
137. M. Wilson, J. Chem. Phys. 107, 8654 (1997).
138. J. Ryckaert and A. Bellemans, Chem. Phys. Lett. 30, 123 (1990).
139. R. Memmer, H. Kuball, and A. Schonhofer, Mol. Phys. 89, 1633 (1996).
140. R. Memmer, H. Kuball, and A. Schonhofer, Liquid Crystals 19, 749 (1995).
141. C. Cross and B. Fung. Mol. Cryst. Liq. Cryst. 262, 50 (1995).
142. C. Cross and B. Fung, J. Chem. Phys. 101, 6839 (1994).
143. F. Novak, Mol. Cryst. Liq. Cryst. 113, 242 (1984).
144. R. Richardson, A. Leadbetter, and J. Frost, Mol. Phys. 45, 1163 (1982).
145. G. Zerbi, P. Roncone, G. Longhi, and & Wunder, J. Chem. Phys. 89, 166 (1988).
146. E. Galbiati and G. Zerbi, J. Chem. Phys. 87, 3653 (1987).
147. C. Almirante, G. Minoni, and G. Zerbi, J. Phys. Cond. Mat. 90, 852 (1986).
148. G. Zerbi, in Advances in IR and Roman Spectroscopy, M. MacKenzie, ed., Heyden, London, 1984.
149. M. Wilson, Liquid Crystals 21, 437 (1996).
150. J. Huth, T. Mosell, K. Nicklas, A. Sariban, and J. Brickmann, J. Phys. Cond. Mat. 98, 7685 (1994).
151. S. Hauptmann, T. Mosell, S. Reiling, and J. Brickmann Computers Phys. 208, 57 (1996).
152. D. Levesque, Mazars, and J. Weis, Computers Phys. 103, 3820 (1995).
153. J. Stankus, R. Torre, and M. Fayer, J. Phys. Cond. Mat. 97, 9478 (1993).
154. S. Urban, H. Kresse, and R. Dabrowski, Zeit, fur Naturforsch. A 52, 403 (1997).
155. B. Berne and R. Pecora, Dynamic Light Scattering, 1st ed., Wiley, New York, 1976.
156. W. Rothschild, Dynamics of Molecular Fluids, Wiley-Interscience, New York, 1984.
157. A. Lecalvez, S. Montant, E. Freysz, A. Ducasse, X.W. Zhuang, and Y.R. Shen, Chem. Phys. Lett. 258, 620 (1996).
158. A. Lecalvez, S. Montant, E. Freysz, R. Maleckrassoul, and A. Ducasse, Annales de Physicque 20, 613 (1995).
159. T. Ueno, K. Sakai, and K. Takagi, Phys. Rev. E 54, 6457 (1996).
160. J. J. Stankus, R. Torre, C D. Marshall, S. R. Greenfield, A. Sengupta, and M. D. Fayer, Chem. Phys. Lett. 194, 3503 (1992).
161. C. Flytzanis and Y. Shen, Phys. Rev. Lett. 33, 14 (1974).
162. A. Sengupta and M. Fayer, J. Chem. Phys. 102, 4193 (1995).
163. S. Yakovenko, A. Muravski, F. Eikelschulte, and A. Geiger, Computers Phys. 105, 10766 (1996).
164. D. Thirumalai, J. Phys. Cond. Mat. 98, 9265 (1994).
165. S. Ravichandran, A. Perera, M. Moreau, and B. Bagchi, J. Chem. Phys. 107, 8469 (1997).
166. A. Perera, S. Ravichandran, M. Moreau, and B. Bagchi, J. Chem. Phys. 106, 1280 (1997).
167. S. Yakovenko, A. Muravski, G. Krämer, and A. Geiger, Mol. Phys. 86, 1099 (1995).
168. S. Yakovenko, A. Minko, G. Krömer, and A. Geiger, Liquid Crystals 17, 127 (1994).
169. Cagnon, Phys. Rev. Lett. 70, 2742 (1993).
170. R. Ondris-Crawford, G. Crawford, S. Zumer, and J. Doane, Phys. Rev. Lett. 70, 194 (1993).
171. T. Moses and Y. Shen, Phys. Rev. Lett. 67, 2033 (1991).
172. M. Büchel, B. Weichart, C. Minx, H. Menzel, and D. Johannsmann, Phys. Rev. E 55, 455 (1997).
173. Y. Zhu and Y. Wei, Computers Phys. 101, 10023 (1994).
174. D. J. Cleaver, M. J. Callaway, T. Forester, W. Smith, and D. J. Tildesley, Mol. Phys. 81, 781 (1994).
175. M. Glaser, R. Malzbender, N. Clark, and D. Walba, J. Phys. 6, A261 (1994).
176. D. Binger and S. Hannah, Mol. Cryst. Liq. Cryst. 302, 63 (1997).
177. S. J. Clark, C. J. Adam, J. A. White, G. J. Ackland, and J. Crain, Liquid Crystals 22, 469 (1997).
178. S. Clark, C. Adam, D. Cleaver, and J. Crain, Liquid Crystals 22, 475 (1997).
179. W. Kohn and L. Sham, Phys. Rev. 140, 1133A (1965).
180. E. Kryachko and E. Ludena, Energy Density Functional Theory of Many Electron Systems, Klewer Academic, Boston, 1990.
181. R. M. Wentzcovich, W. W. Schultz, and P. B. Allen, Phys. Rev. Lett. 72, 3389 (1994).
182. H. C. Hsueh, H. Vass, S.J. Clark, G.J. Ackland, and J. Crain, Phys. Rev. B 51, 16750 (1995).
183. H. C. Hsueh et al., Phys. Rev. B 51, 12216 (1995).
184. K. Refson et al., Phys. Rev. B 52, 10823 (1995).
185. I. Stich et al., Phys. Rev. B 49, 8076 (1994).
186. J. S. Lin, A. Qteish, M. C. Payne, and V. Heine, Phys. Rev. B 47, 4174 (1993).
187. G. Bachelet, D. Hamman, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
188. J. P. Perdew et al., Phys. Rev. B 46, 6671 (1992).
189. R. Feynman, Phys. Rev. 56, 340 (1939).
190. M. C. Payne et al., Rev. Mod. Phys. 64, 1046 (1992).
191. M. Schlüter and L. J. Sham, Physics Today 36 (1982).
192. T. Hannemann, W. Haase, I. Svomoda, and H. Feuss, Liquid Crystals 19, 669 (1995).