Cumulative atomic multipole moments CAMM

These atomic contributions depend on the choice of the coordinate origin. A space invariant form can be obtained using the cumulative approach [93, 94]. The space invariant cumulative atomic multipole moments (CAMMs) do not contain contributions from lower moments. The definition of the CAMMs is as follows ... 

The marching-cube algorithm has been used also by Kolle and Jug (1995) to define the tesserae of isodensity surfaces. The procedure is implemented in the semiempirical SINDOl program (INDO with Slater-type orbitals, Li et al., 1992). To compute AS charges the asymptotic density model ADM (Koster et al., 1993) is used. This is an approximation to the calculation of molecular electrostatic potentials based on the cumulative atomic multipole moment procedure (CAMM, Sokalski et al., 1992). 

It is seen that when the origins are located on atoms, we have an intermediary situation, and it might be sufficient to have a few multipoles per atom. This is what the concept of the so-called cumulative atomic multipole moments is all about (CAMM ). Besides the isotropic... 

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