In the quantum chemistry group of Oviedo University (Spain), PROMOLDEN code was designed to perform the topological analysis of the electron density according to the quantum theory of atoms in molecules (QTAIM). Here, an auxiliary code of PROMOLDEN, which has been termed as RHOLM, is introduced. This code enables one to generate the QTAIM multipole moments and apply different methodologies for studying the convergence of the multipole expansion for Coulomb interactions [1].

References

[1] C. J. F. Solano, A. M. Pendás, E. Francisco, M. A. Blanco and P. L. A. Popelier, J. Chem. Phys, 132, 194110 (2010).