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Investigation of dynamical properties of liquid alkali metals
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2019-01-21 , DOI: 10.1080/00319104.2018.1564304
Rajesh C. Malan 1 , Aditya M. Vora 2
Affiliation  

ABSTRACT The present article deals with the study of the dynamical behaviour of the heavily dense liquid alkali metals using velocity autocorrelation function (VACF) and power spectrum . The extended Brownian motion equation is used to generate VACF for liquid metals in the present work. The presently obtained results are compared with those generated by the molecular dynamical study (MD) as well as other theoretical models. The model potential given by Fiolhais et al. is used for the calculation of the VACF. The screening effect over the bare ion potential results is estimated with the help of Hartree (H) dielectric function. The exchange and correlation effects are calculated with the functions given by Sarkar et al. (S) and Ichimaru–Utsumi (IU).

中文翻译:

液态碱金属动力学特性研究

摘要 本文使用速度自相关函数 (VACF) 和功率谱研究高密度液态碱金属的动力学行为。在目前的工作中,扩展的布朗运动方程用于生成液态金属的 VACF。目前获得的结果与分子动力学研究 (MD) 以及其他理论模型产生的结果进行了比较。Fiolhais 等人给出的模型潜力。用于计算 VACF。借助 Hartree (H) 介电函数估计对裸离子电势结果的屏蔽效应。交换和相关效应是用 Sarkar 等人给出的函数计算的。(S) 和 Ichimaru-Utsumi (IU)。
更新日期:2019-01-21
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