Molecular dynamics simulation using hard particles

Computer Physics Reports - Tập 9 - Trang 301-353 - 1989
M.P. Allen1
1H.H.Wills Physics Laboratory Royal Fort, Tyndall Avenue, Bristol, BS8 1TL, United Kingdom

Tài liệu tham khảo

Alder, 1957, J. Chem. Phys., 27, 1208, 10.1063/1.1743957 Alder, 1959, J. Chem. Phys., 31, 459, 10.1063/1.1730376 Alder, 1960, J. Chem. Phys., 33, 1439, 10.1063/1.1731425 Alder, 1962, Phys. Rev., 127, 359, 10.1103/PhysRev.127.359 Maitland, 1981 Car, 1985, Phys. Rev. Lett., 55, 2471, 10.1103/PhysRevLett.55.2471 Hansen, 1986 Alder, 1970, J. Chem. Phys., 53, 3813, 10.1063/1.1673845 Alder, 1970, Phys. Rev., A1, 18, 10.1103/PhysRevA.1.18 Levesque, 1987, 36 Boublik, 1986, Collection Czech. Chem. Commun., 51, 2301, 10.1135/cccc19862301 Barker, 1976, Rev. Mod. Phys., 48, 587, 10.1103/RevModPhys.48.587 C.G. Gray and K.E. Gubbins, The Theory of Molecular Fluids. II. Applications (Clarendon Press, Oxford, to be published) appendix 6A. M. Wertheim, private communication. Levine, 1987 Frenkel, 1987, Mol. Phys., 60, 1, 10.1080/00268978700100011 Cole, 1986, Ann. Rev. Phys. Chem., 37, 105, 10.1146/annurev.pc.37.100186.000541 Eppenga, 1984, Mol. Phys., 52, 1303, 10.1080/00268978400101951 Kolafa, 1988, Mol. Phys., 63, 559, 10.1080/00268978800100381 Panagiotopoulos, 1987, Mol. Phys., 61, 813, 10.1080/00268978700101491 Andersen, 1980, J. Chem. Phys., 72, 2384, 10.1063/1.439486 De Smedt, 1986, Mol. Phys., 59, 625, 10.1080/00268978600102301 O'Dell, 1975, J. Chem. Phys., 63, 2376, 10.1063/1.431666 Subramanian, 1975, Phys. Rev. A, 11, 1430, 10.1103/PhysRevA.11.1430 Berne, 1977, J. Chem. Phys., 66, 2821, 10.1063/1.434355 Pangali, 1977, J. Chem. Phys., 67, 4571, 10.1063/1.434617 Lyklema, 1979, Physica A, 96, 573, 10.1016/0378-4371(79)90014-1 Erpenbeck, 1977, 1 Allen, 1987 Verlet, 1967, Phys. Rev., 159, 98, 10.1103/PhysRev.159.98 Quentrec, 1975, J. Comput. Phys., 13, 430, 10.1016/0021-9991(73)90046-6 Hockney, 1981 Rapaport, 1980, J. Comput. Phys., 34, 184, 10.1016/0021-9991(80)90104-7 Rapaport, 1988, Comput. Phys. Rep., 9, 1, 10.1016/0167-7977(88)90014-7 Frenkel, 1983, Mol. Phys., 49, 503, 10.1080/00268978300101331 Rapaport, 1978, J. Phys. A, 11, L213, 10.1088/0305-4470/11/8/008 Rapaport, 1979, J. Chem. Phys., 71, 3299, 10.1063/1.438770 Bellemans, 1980, Mol. Phys., 39, 781, 10.1080/00268978000100671 Chapela, 1984, Mol. Phys., 53, 139, 10.1080/00268978400102181 Press, 1986 Allen, 1987, Mol. Phys., 60, 453, 10.1080/00268978700100301 Magda, 1986, J. Chem. Phys., 85, 6674, 10.1063/1.451449 Allen, 1986, Mol. Phys., 58, 615, 10.1080/00268978600101421 Magda, 1988, J. Chem. Phys., 88, 1207, 10.1063/1.454240 Rebertus, 1977, J. Chem. Phys., 67, 2585, 10.1063/1.435226 Stratt, 1981, Mol. Phys., 42, 1233, 10.1080/00268978100100921 McNeill, 1982, J. Chem. Phys., 76, 6221, 10.1063/1.443025 Doi, 1978, J. Chem. Soc. Faraday Trans. II, 74, 560, 10.1039/f29787400560 Lowden, 1974, J. Chem. Phys., 61, 5228, 10.1063/1.1681868 Gray, 1984 Streett, 1976, 348, 485 Perera, 1987, J. Chem. Phys., 87, 1295, 10.1063/1.453313 Kabadi, 1985, Ber. Bunsenges. Phys. Chem., 89, 2, 10.1002/bbpc.19850890103 Ghazi, 1987, Mol. Phys., 62, 1103, 10.1080/00268978700102821 Berne, 1976, Mol. Phys., 32, 363, 10.1080/00268977600103161 Lynden-Bell, 1984, 135, 501 Frank, 1958, Discuss. Faraday Soc., 25, 19, 10.1039/df9582500019 de Gennes, 1974 Forster, 1974, Ann. Phys., 85, 505, 10.1016/0003-4916(74)90314-5 Vieillard-Baron, 1972, J. Chem. Phys., 56, 4729, 10.1063/1.1676946 Frenkel, 1984, Phys. Rev. Lett., 52, 287, 10.1103/PhysRevLett.52.287 Perram, 1984, Chem. Phys. Lett., 105, 277, 10.1016/0009-2614(84)85029-0 Frenkel, 1985, Mol. Phys., 55, 1171, 10.1080/00268978500101971 Perram, 1985, J. Comput. Phys., 58, 409, 10.1016/0021-9991(85)90171-8 Allen, 1987, Phys. Rev. Lett., 58, 1748, 10.1103/PhysRevLett.58.1748 Allen, 1989, Molecular Simulation, 2, 301, 10.1080/08927028908034607 Allen, 1988, Phys. Rev. A, 37, 1813, 10.1103/PhysRevA.37.1813 J. Talbot, M.P. Allen, G.T. Evans, D. Frenkel and D. Kivelson, Phys. Rev. A, to appear. Wood, 1975, III, 331 M. Wertheim and J. Talbot, in preparation. J. Talbot, M.P. Allen, G.T. Evans, D. Frenkel and D. Kivelson, in preparation. Keyes, 1974, J. Chem. Phys., 56, 1057, 10.1063/1.1677267 Kivelson, 1980, Ann. Rev. Phys. Chem., 31, 523, 10.1146/annurev.pc.31.100180.002515 Alms, 1974, J. Chem. Phys., 61, 4083, 10.1063/1.1681703 Gierke, 1974, J. Chem. Phys., 61, 2231, 10.1063/1.1682297 Cox, 1979, Mol. Phys., 38, 1539, 10.1080/00268977900102631 Madden, 1980, Chem. Phys. Lett., 76, 604, 10.1016/0009-2614(80)80678-6 Madden, 1979, Mol. Phys., 38, 1539, 10.1080/00268977900102631 Evans, 1982, J. Chem. Phys., 77, 3209, 10.1063/1.444196 Evans, 1984, J. Chem. Phys., 81, 6039, 10.1063/1.447606 Strzelecka, 1988, Nature, 331, 457, 10.1038/331457a0 Lebowitz, 1983, Mol. Phys., 50, 1207, 10.1080/00268978300102981 Stroobants, 1986, Phys. Rev. Lett., 57, 1452, 10.1103/PhysRevLett.57.1452 Stroobants, 1987, Phys. Rev. A, 36, 2929, 10.1103/PhysRevA.36.2929 Vieillard-Baron, 1974, Mol. Phys., 28, 809, 10.1080/00268977400102161 Frenkel, 1987, J. Phys. Chem., 91, 4912, 10.1021/j100303a008 Frenkel, 1988, Nature, 332, 822, 10.1038/332822a0 Hara, 1985, Jap. J. Appl. Phys., 24, L777, 10.1143/JJAP.24.L777 Poniwierski, 1979, Mol. Phys., 38, 249 Lee, 1986, J. Chem. Phys., 84, 3443, 10.1063/1.450228 M.P. Allen, Molecular Simulation, to appear.