COMPUTER-SIMULATION STUDY OF INELASTIC NEUTRON-SCATTERING FROM LIQUID WATER

被引：14

作者：

DIRAISON, M

LEICKNAM, JC

TARJUS, G

BRATOS, S

机构：

[1] Laboratoire de Physique Théorique des Liquides, Université Pierre et Marie Curie, 75252 Paris Cedex 05, Case Courrier 121

来源：

PHYSICAL REVIEW E | 1994年 / 50卷 / 04期

关键词：

D O I：

10.1103/PhysRevE.50.2689

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

A computer simulation study is presented to examine the incoherent inelastic neutron scattering from liquid water. A mixed quantum-classical method is employed: the quantum-mechanical vibrational degrees of freedom are treated analytically, whereas the rotational-translational degrees of freedom are studied by a classical molecular-dynamics simulation. The spectral effects of vibrational relaxation mechanisms are explicitly accounted for. The results are in good agreement with experiments. The limitations of a purely classical description are discussed.

引用

页码：2689 / 2695

页数：7

共 32 条

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