Figure compares the present choice of 𝑟 7466,! to the previous one. In Figure , the SBW function value is shown as a function of two diatomic distances for geometries at which the O-O-O bond angle is set to 90 degrees, and the f, a, and b parameters in eqs ( ) and ( ) are set to values of 2.0, -2.0,and 4.0 respectively for this comparison. We can observe a discontinuous derivative in panel a of Figure , where 𝑟 D.!!,% is defined as the second largest diatomic distance, whereas panel b, which uses eq (12), is smooth. Therefore, the definition in eq (12) is preferred to the older one. (12).