Interaction-site-model description of collective excitations in liquid water. I: Theoretical study

被引:16
|
作者
Chong, SH
Hirata, F [1 ]
机构
[1] Inst Mol Sci, Aichi 4448585, Japan
[2] Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068502, Japan
来源
JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 07期
关键词
D O I
10.1063/1.479589
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
Collective excitations in liquid water are investigated using the recently developed theory for dynamics of molecular liquids which is based on the interaction-site model for polyatomic fluids, the projection-operator formalism of Zwanzig and Mori, and the simple approximation scheme for memory functions. It is shown that all the essential features of collective excitations in water, reported previously by neutron-scattering experiments, molecular dynamics simulations and dielectric theories, are well reproduced by the present theory. (C) 1999 American Institute of Physics. [S0021-9606(99)50731-9].
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页码:3083 / 3094
页数:12
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