Properties of liquid crystal molecules from first principles computer simulation

Liquid Crystals

Volumn 22, Issue 4, 1997, Pages 469-475

  Clark, S J ^a   Adam, C J ^a   Ackland, G J ^a   White, J ^a   Crain, J ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000652217     PISSN: 02678292     EISSN: 13665855     Source Type: Journal    
DOI: 10.1080/026782997209199     Document Type: Article

References (27)

1. ALLEN, M. P., 1993, Philos. Trans. R. Soc. London SERIES A, 344, No. 1672,323.
2. SAMBORSKI, A., EVANS, G. T., M ASON, C. P., and A LLEN, M. P., 1994, Mol. Phys., 81, 263.
3. WILSON, M. R., and ALLEN, M. P., 1993, Mol. Phys., 80, 277.
4. CRAIN, J., ACKLAND, G. J., and CLARK, S. J., 1995, Rep. Prog. Phys., 58, 705.
5. HSUEH, H. C., VASS, H., CLARK, S. J., and CRAIN, J., 1994, Europhys. Lett., 31, 503.
6. CRAIN, J., A CKLAND, G. J., PILTZ, R. O., and H ATTON, P. D., 1993, Phys. Rev. Lett., 70, 814.
7. HOLENDER, J. M., and GILLAN, M. J., 1996, Phys. Rev. B, 53, 4399.
8. HOLENDER, J. M., GILLAN, M. J., PAYNE, M. C., and SIMPSON, A. D., 1995, Phys. Rev. B, 52, 967.
9. HSUEH, H. C., MACLEAN, J. R., GUO, G. Y., LEE, M. H., C LARK, S. J., A CKLAND, G. J., and C RAIN, J., 1995, Phys. Rev. B, 51, 12216.
10. C LARK, S. J., A CKLAND, G. J., C RAIN, J., and PAYNE, M. C., 1994, Phys. Rev. B, 50, 5728.
11. PEREZ, R., PAYNE, M. C., and SIMPSON, A. D., 1995, Phys. Rev. Lett., 75, 4748.
12. STICH, I., PAYNE, M. C., KINGSMITH, R. D., LIN, J. S., CLARKE, L. J., BROMMER, K. D., JOANNOPOULOS, J. D., and LARSON, B. E., 1993, Phys. Rev. Lett., 71, 3613.
13. DEVITA, A., STICH, I., GILLAN, M. J., PAYNE, M. C., and CLARKE, L. J., 1993, Phys. Rev. Lett., 71, 1276.
14. PAYNE, M. C., TETER, M. P., ALLAN, D. C., ARIAS, T. A., and JOANNOPOULOS, J. D., 1992, Rev. Mod. Phys., 64, 1045.
15. SCHLUTER, M., and SHAM, L. J., 1982, Phys. Today, 35, 36.
16. KLEINMAN, L., and BYLANDER, D. M., 1982, Phys. Rev. Lett., 48, 1425.
17. LIN, J. S., QTEISH, A., PAYNE, M. C., and HEINE, V., 1993, Phys. Rev. B, 47, 4174.
18. PERDEW, J. P., CHEVARY, J. A., VOSKO, S. H., JACKSON, K. A., PEDERSON, M. R., Singh, D. J., and FIOLHAIS, C., 1992, Phys. Rev. B, 46, 6671.
19. C LARK, S. J., A DAM, C. J., C LEAVER, D. J., and C RAIN, J., 1997, Liq. Cryst., this issue.
20. DECIUS, J. C., and HEXTER, R. M., 1977, Molecular Vibrations in Crystals (New York: McGraw-Hill), Chapter 2.
21. BERCES, A., and ZELLER, T., 1993, J. Chem. Phys., 98, 9044.
22. Brenner, L. J., Senekowtsch, J., and Wyatt, R. E., 1993, Chem. Phys. Lett., 215, 63.
23. GOODMAN, L., OZKABAK, A. G., and THAKUR, S. N., 1991, J. Phys. Chem., 95, 9044.
24. MASLEN, P. E., HANDY, N. C., AMOS, R. D., and JAYATILAKA, D., 1992, J. Chem. Phys., 97, 4233.
25. HANDY, N. C., MASLEN, P. E., AMOS, R. D., ANDREWS, J. S., MURRAY, C. W., and LAMING, G. J., 1992, Chem. Phys. Lett., 197, 506.
26. GUO, H., and KARPLUS, M., 1988, J. Chem Phys., 89, 4235.
27. ALBERTAZZI, E., and ZERBETTO, F., 1992, Chem. Phys., 164, 91.