ON CALCULATING THE ELECTRONIC STRUCTURE OF IRON MELTS.

被引：0
|
作者：
Asanovich, V.Ya.
Katysheva, L.V.
Ukhov, V.F.
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来源：
Russian metallurgy. Metally | 1984年 / 04期
关键词：
LIQUID METALS - Electronic Properties - MATHEMATICAL STATISTICS - Monte Carlo Methods;
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摘要：
The calculation of the function N(E) denoting the electronic state density (ESD) of liquid metals has attracted the attention of many investigators, since almost every property of a metal can be calculated from its electronic structure. A comparison between two approaches to the calculation of ESD has shown that Haydock's recursive procedure is to be preferred. The radial distribution function of iron at 1900 degree K has been calculated by a Monte-Carlo method. The ESD function for the 3d-electrons in iron has been calculated. The results show that detailed information on electronic state densities can be derived from data on a large number of N(E) moments.
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页码：57 / 60
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