Note: Modification of the Gay-Berne potential for improved accuracy and speed

被引:8
|
作者
Persson, Rasmus A. X. [1 ]
机构
[1] Univ Gothenburg, Dept Chem & Mol Biol, SE-41296 Gothenburg, Sweden
来源
JOURNAL OF CHEMICAL PHYSICS | 2012年 / 136卷 / 22期
关键词
GAUSSIAN MODEL POTENTIALS; MOLECULAR-INTERACTIONS;
D O I
10.1063/1.4729745
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页数:2
相关论文
共 50 条
  • [1] Parameterization of the Gay-Berne potential for nCB
    Fukunaga, H
    Takimoto, J
    Aoyagi, T
    Shoji, T
    Sawa, F
    Doi, M
    PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 2000, (138): : 396 - 397
  • [3] Extension and generalization of the Gay-Berne potential
    Cleaver, DJ
    Care, CM
    Allen, MP
    Neal, MP
    PHYSICAL REVIEW E, 1996, 54 (01) : 559 - 567
  • [4] A Gay-Berne potential for dissimilar biaxial particles
    Berardi, R
    Fava, C
    Zannoni, C
    CHEMICAL PHYSICS LETTERS, 1998, 297 (1-2) : 8 - 14
  • [5] Shear viscosity of binary mixtures: The Gay-Berne potential
    Khordad, R.
    CHEMICAL PHYSICS, 2012, 400 : 51 - 58
  • [6] A GENERALIZED GAY-BERNE INTERMOLECULAR POTENTIAL FOR BIAXIAL PARTICLES
    BERARDI, R
    FAVA, C
    ZANNONI, C
    CHEMICAL PHYSICS LETTERS, 1995, 236 (4-5) : 462 - 468
  • [7] DYNAMICS OF THE GAY-BERNE FLUID
    DEMIGUEL, E
    RULL, LF
    GUBBINS, KE
    PHYSICAL REVIEW A, 1992, 45 (06): : 3813 - 3822
  • [8] The Gay-Berne mesogen: a paradigm shift?
    Luckhurst, G. R.
    LIQUID CRYSTALS, 2006, 33 (11-12) : 1389 - 1395
  • [9] Rotational viscosities of Gay-Berne mesogens
    Cuetos, A
    Ilnytskyi, JM
    Wilson, MR
    MOLECULAR PHYSICS, 2002, 100 (24) : 3839 - 3845
  • [10] A computer simulation of a potential derived from the Gay-Berne potential for lattice model
    Zewdie, H
    BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA, 2000, 14 (01) : 69 - 89