CRCU

Chemical Research in Chinese Universities ›› 1993, Vol. 9 ›› Issue (1): 24-27.

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The Evaluation of Two-Dimensional Madelung Constant For NaCl Crystal Structure

HUANG Ke-zhi1, HUANG Qing2   

  1. 1. Shenyang Institute of Chemical Technology, Shenyang, 110021;
    2. Legend Computer Group CO. Beijing, 100080
  • Received:1992-04-14 Online:1993-01-24 Published:2011-08-17

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Abstract: The following documentation is an evaluation of the two-dimensional Madelung constant for the NaCl structure. The infinite series for the structure is formulted as (1993-01-5.png) The 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.

Key words: Madelung constant, Sodium chloride, Infinite series, Convergence value