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stractor

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[交流] 【求助】关于准谐近似的问题

我对quasiharmonic approximation 这个概念有些模糊,我在文献中看到这样的说法:To obtain the above thermodynamic functions, in practice,we use the quasiharmonic approximation, i.e., the phonons are harmonic, but they are volume dependent. In detail, the lattice volumes are expanded or compressed in our calculations.谁能解释一下什么是quasiharmonic approximation.

[ Last edited by ddx-k on 2008-12-23 at 21:43 ]
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GrasaVampiro

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具体哪个文献???“above thermodynamic functions”???
从此不问江湖事
2楼2008-12-02 21:25:38
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stractor

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是关于热力学函数的,是PRB 71, 024117(2005),其实不指这篇文献,其它文献也有用到准谐近似处理晶格振动问题的,谁能解答一下.
3楼2008-12-03 14:42:20
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