Bond critical point properties and electron density distributions

Bond critical point properties and electron density distributions 

The bond critical point properties of an electron density distribution are evaluated at the bond critical point, rc, of a bonded interaction. Collectively, they consist of the curvatures and the Laplacian of the distribution, the value of /9(rc) and the bonded radii of the bonded atoms. The curvatures of p(rc) determine the local concentration or local depletion of the electron density distribution in the vicinity of the bond critical point measured in three mutually perpendicular directions. As observed by Bader and Essen (1984), the curvatures in these directions are found by evaluating the eigenvalues and eigenvectors of the Hessian matrix of p(rc), Hy = p(r l dXjdxj, (ij = 1,3). The three 

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