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液态水介电响应函数模型的比较研究。

A comparative study of dielectric response function models for liquid water.

作者信息

Emfietzoglou D, Nikjoo H, Pathak A

机构信息

Medical Physics Laboratory, University of Ioannina Medical School, Ioannina 45110, Greece.

出版信息

Radiat Prot Dosimetry. 2006;122(1-4):61-5. doi: 10.1093/rpd/ncl414. Epub 2007 Jan 24.

Abstract

Various methodologies that aim at an analytic representation of the dielectric response function (DRF) of liquid water with emphasis on the Bethe ridge region are compared. The use of optical data is a common feature to all models presented providing an empirical ground for modelling the valence energy losses where many-body (and phase) effects are expected to be most prevalent. The dispersion models used for describing the momentum dependence of the DRF are evaluated against the recent inelastic X-ray scattering (IXS) spectroscopy data. Recent developments along the lines of Ritchie's extended-Drude scheme for an improved representation of the experimental Bethe ridge are presented.

摘要

比较了各种旨在对液态水的介电响应函数(DRF)进行解析表示的方法,重点是贝特峰区域。使用光学数据是所有提出的模型的一个共同特征,为模拟价电子能量损失提供了经验基础,在该区域多体(和相)效应预计最为普遍。将用于描述DRF动量依赖性的色散模型与最近的非弹性X射线散射(IXS)光谱数据进行了评估。介绍了沿着里奇扩展德鲁德方案思路的最新进展,以改进对实验贝特峰的表示。

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