您当前所在位置: 首页 > 学者

孙久勋

  • 39浏览

  • 0点赞

  • 0收藏

  • 0分享

  • 35下载

  • 0评论

  • 引用

期刊论文

Analytic cell-cluster expansion theory and its extension to the quantum case

孙久勋Jiuxun Sun

Physica B 315(2002)101-110,-0001,():

URL:

摘要/描述

The cell-cluster expansion theory is analytically expanded with the anharmonic and the lowest order correlation effects taken into account. The thermodynamic quantities for the all-neighbor and the nearest-neighbor Lennard-Jones models are calculated. The results show that the agreement of the analytic approximate theory with the complete one and the computer simulation is quite good. The comparison also shows that the contributions of the non-nearest neighbors to the thermal parts of thermodynamic quantities are larger than the second-order correlation modification. The ignorance of second-order correlation modification is a reasonable and practically convenient approximation. A simple method is proposed to extend the analytic approximate theory to the quantum case. Considering the quantum effect is remarkable only at low temperature, and tends zero at high temperature, the potential energy of an atom is harmonically expanded to consider the quantum effect of solids within the harmonic oscillator framework. The anharmonic effect is remarkable only at high temperature, and tends zero at low temperature, it is disposed using a classical approximation. The results for the quantum theory are in good agreement with the experimental data of solid xenon.

【免责声明】以下全部内容由[孙久勋]上传于[2007年09月17日 15时50分11秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

我要评论

全部评论 0

本学者其他成果

    同领域成果