LIGHT-SCATTERING BY ALKALI-HALIDES MELTS - A COMPARISON OF SHELL-MODEL AND RIGID-ION COMPUTER-SIMULATION RESULTS

被引：32

作者：

OSULLIVAN, KF

MADDEN, PA

机构：

[1] Phys. Chem. Lab., Oxford Univ.

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 44期

关键词：

D O I：

10.1088/0953-8984/3/44/018

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Molecular dynamics computer simulations with shell-model potentials have been used to calculate the light scattering (Raman) spectra of molten LiCl. A significant improvement in the level of agreement with experiment is found over previous simulations with rigid-ion potentials. The improvement is attributed to the better description of the relaxation of the charge-density fluctuations in the shell-model simulations

引用

页码：8751 / 8756

页数：6

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