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. Author manuscript; available in PMC: 2009 Oct 6.
Published in final edited form as: J Phys Chem A. 2006 Jul 13;110(27):8366–8396. doi: 10.1021/jp056975t

Table 12.

Potential coefficients c20 and c22 (eq 4) and corresponding principal values of the ordering tensor in spherical tensor notation, S20 and S22 (eq 11), and in Cartesian notation, according to Sxx=(12)32S220.5S20;Syy=(12)32S220.5S20; and Szz = S20. Note that reversing the sign of c22 will cause the values of Sxx and Syy to be exchanged.

c20 c22 S20 S22 Sxx Syy Szz
2 0 +0.440 0.000 −0.220 −0.220 +0.440
2 2 +0.265 +0.368 +0.093 −0.358 +0.265
2 2.45 +0.188 +0.460 +0.188 −0.376 +0.188
2 3 +0.088 +0.572 +0.306 −0.394 +0.088
2 4 −0.082 +0.750 +0.500 −0.418 −0.082
2 6 −0.183 +0.878 +0.739 −0.446 −0.293