| 离子晶体晶格能的计算机辅助计算 |
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| 引用本文： | 盛桂芳,葛玉琛.离子晶体晶格能的计算机辅助计算[J].天津理工大学学报,1998(1). |
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| 作者姓名： | 盛桂芳 葛玉琛 |
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| 作者单位： | 天津理工学院化工系(盛桂芳)，天津轻工业学院(葛玉琛) |
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| 摘 要： | 指出了推导Ｍａｄｅｌｕｎｇ常数时出现的一种错误，这种错误普遍存留于当今有关晶体化学的利用数论和计算机技术给出了一种计算离子晶体晶格能的方法，并给出了实例．
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| 关 键 词： | 晶格能 Madelung常数 枚举法 计算机辅助计算 |
COMPUTER AIDED COMPUTATION OF IONIC CRYSTAL LATTICE ENERGY |
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| Sheng Guifang.COMPUTER AIDED COMPUTATION OF IONIC CRYSTAL LATTICE ENERGY[J].Journal of Tianjin University of Technology,1998(1). |
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| Authors: | Sheng Guifang |
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| Abstract: | A mistake in deducing Madelung constant was pointed out. This mistake has remained in some works of crystal chemistry. An effective method of calculating ionic crystal lattice energy was given by use of number theory and computer technique. A practical example was offered. |
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| Keywords: | ionic crystal lattice energy Madelung constant enumeration method computer aided computation |
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