Table 3.4.12.1

Williams, D. E.

doi:10.1107/97809553602060000562

International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

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International Tables for Crystallography (2006). Vol. B. ch. 3.4, p. 391

Table 3.4.12.1

D. E. Williams^a ^‡

^aDepartment of Chemistry, University of Louisville, Louisville, Kentucky 40292, USA

Table 3.4.12.1 | top | pdf |
Accelerated-convergence results for the Coulombic sum ( [n = 1] ) of sodium chloride (kJ mol⁻¹, Å): the direct sum plus the constant term

Limit
6.0	−779.087	−838.145	−860.393	−924.275	−1125.372
8.0	−818.549	−860.194	−863.764	−924.282	−1125.372
10.0	−865.323	−862.818	−863.811	−924.282
12.0	−861.183	−862.824	−863.811
14.0	−862.717	−862.828
16.0	−862.792	−862.828
18.0	−862.810
20.0	−862.825