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

International Tables for Crystallography (2006). Vol. B, ch. 3.4, p. 392

Table 3.4.12.3 

D. E. Williamsa

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

Table 3.4.12.3| top | pdf |
Accelerated-convergence results for the dispersion sum ([n = 6]) of crystalline benzene (kJ mol−1, Å); the figures shown are the direct-lattice sum plus the two constant terms

Limit [w = 0.1] [w = 0.15] [w = 0.2] [w = 0.3] [w = 0.4]
6.0 −73.452 −77.761 −79.651 −61.866 76.645
8.0 −79.029 −80.374 −80.256 −61.870 76.645
10.0 −80.217 −80.571 −80.265 −61.870  
12.0 −80.527 −80.585 −80.265    
14.0 −80.578 −80.585      
16.0 −80.588        
18.0 −80.589        
20.0 −80.589