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The Evaluation of Two-Dimensional Madelung Constant For NaCl Crystal Structure 被引量:1

The Evaluation of Two-Dimensional Madelung Constant For NaCl Crystal Structure
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摘要 The following documentation is an evaluation of the two-dimensional Madelung constant for the NaCl structure. The infinite series for the structure is formulted asThe first term in the formula converges to 41n2. The series after K =2 in the second term is put together with the third term and a constant- 4/ 2 is left. The combination of the third term and the series after K=2 in the second term is assumed to be 8 Sn. The converging series Sn can be solved on a computer. The seven significant figures of the two-dimensional Madelung constant for the NaCl structure is then determined as 1. 615558. The following documentation is an evaluation of the two-dimensional Madelung constant for the NaCl structure. The infinite series for the structure is formulted asThe first term in the formula converges to 41n2. The series after K =2 in the second term is put together with the third term and a constant- 4/ 2 is left. The combination of the third term and the series after K=2 in the second term is assumed to be 8 Sn. The converging series Sn can be solved on a computer. The seven significant figures of the two-dimensional Madelung constant for the NaCl structure is then determined as 1. 615558.
出处 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1993年第1期24-27,共4页 高等学校化学研究(英文版)
关键词 Madelung constant Sodium chloride Infinite series Convergence value Madelung constant, Sodium chloride, Infinite series, Convergence value
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