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Croatica Chemica Acta, Vol. 59 No. 2, 1986

Original scientific paper

Direct Computation of Madelung Constants

Mirko Mirnik ; Laboratory of Physical Chemistry, Faculty of Sciences, University of Zagreb, Zagreb, Croatia, Yugoslavia

Fulltext: english, pdf (3 MB) pages 423-428 downloads: 557* cite
APA 6th Edition
Mirnik, M. (1986). Direct Computation of Madelung Constants. Croatica Chemica Acta, 59 (2), 423-428. Retrieved from https://hrcak.srce.hr/177370
MLA 8th Edition
Mirnik, Mirko. "Direct Computation of Madelung Constants." Croatica Chemica Acta, vol. 59, no. 2, 1986, pp. 423-428. https://hrcak.srce.hr/177370. Accessed 23 Apr. 2021.
Chicago 17th Edition
Mirnik, Mirko. "Direct Computation of Madelung Constants." Croatica Chemica Acta 59, no. 2 (1986): 423-428. https://hrcak.srce.hr/177370
Harvard
Mirnik, M. (1986). 'Direct Computation of Madelung Constants', Croatica Chemica Acta, 59(2), pp. 423-428. Available at: https://hrcak.srce.hr/177370 (Accessed 23 April 2021)
Vancouver
Mirnik M. Direct Computation of Madelung Constants. Croatica Chemica Acta [Internet]. 1986 [cited 2021 April 23];59(2):423-428. Available from: https://hrcak.srce.hr/177370
IEEE
M. Mirnik, "Direct Computation of Madelung Constants", Croatica Chemica Acta, vol.59, no. 2, pp. 423-428, 1986. [Online]. Available: https://hrcak.srce.hr/177370. [Accessed: 23 April 2021]

Abstracts
An algorithm is proposed by which the Madelung constants can be computed by direct summation with any precision given by that of the computer used. The necessary program can be made very simple, requiring acceptable computation times due to a small number of necessary lattice points. The algorithm is based on the calculation of arithmetical means of higher order of partial sums of infinite alternating convergent series equal to the Madelung constants. As an example, the Madelung constant of cubic lattice was computed using only 21, 18, 16 members in the axes, coordination planes and the space volume respectively. The obtained value was MC= 1.74756460 + 6, with an estimated error of -5 X 10-9< 6< 1 x 10-8•

Hrčak ID: 177370

URI
https://hrcak.srce.hr/177370

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