Polar Coordinate Representation of H_b(r_c) versus (ℏ²/8m)▽²ρ_b(r_c) at BCP in AIM Analysis: Classification and Evaluation of Weak to Strong Interactions

Polar coordinate (R, θ) representation is proposed for the plot of Hb(rc) versus (ℏ2/8m)▽2ρb(rc) in AIM analysis to classify, evaluate, and understand weak to strong interactions in a unified way and in more detail; Hb(rc) and ▽2ρb(rc) are total electron energy densities and the Laplacian of ρb(rc) at bond critical points (BCPs: rc), respectively, where ρb(rc) are electron densities at rc. Both the x- and y-axes of the plot are expressed in the...