Correlation functions calculated by using reference interaction site model equations for diatomic molecular fluids.
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概要
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The reference interaction site model (RISM) theory was applied to diatomic molecular fluids, by using three different forms of approximation for site-site direct correlation function. Applicability of the three forms of RISM equation, RISM-1, RISM-2, and RISM-3, was examined, site-site pair correlation functions being calculated from them and a comparison of the results with those of computer simulations being made. Structure factor for liquid nitrogen, oxygen, and bromine were obtained from the solution of the RISM-2 equation and compared with experimental results.
- 公益社団法人 日本化学会の論文
著者
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Arakawa Kiyoshi
Research Institute Of Applied Electricity Hokkaido University
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Kojima Kazumitsu
Research Institute of Applied Electricity, Hokkaido University
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