论文信息 - N-particle dynamics of polarizable Stockmayer-type molecules - 字舞流文

N-particle dynamics of polarizable Stockmayer-type molecules

Expressions are given for the potential energy, the forces, and the virial in a computer ensemble of N polarizable point dipoles. An iterative scheme for use in molecular dynamics calculations is tested.

Franz J. Vesely | F. Vesely

[1] F. Stillinger,et al. Molecular Dynamics Study of Liquid Water , 1971 .

[2] H. Kornfeld. Die Berechnung elektrostatischer Potentiale und der Energie von Dipol- und Quadrupolgittern , 1924 .

[3] J. Perram,et al. The dipole-dipole potential in statistical mechanics , 1975 .

[4] Frank H. Stillinger,et al. Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics , 1972 .

[5] V. Jansoone. Dielectric properties of a model fluid with the Monte Carlo method , 1974 .

[6] I. R. Mcdonald. Application of thermodynamic perturbation theory to polar and polarizable fluids , 1974 .

[7] J. A. Barker,et al. Monte Carlo studies of the dielectric properties of water-like models , 1973 .

[8] Bruce J. Berne,et al. Time-Correlation Functions, Memory Functions, and Molecular Dynamics , 1970 .

[9] F. Stillinger,et al. Central-force model for liquid water , 1975 .

[10] R. O. Watts,et al. Monte Carlo studies of liquid water , 1974 .