Proper definitions are proposed to calculate interatomic overlap populations, bond order
(multiplicity) indices and actual atomic valences from the results of ab initio quantum
chemical calculations, in terms of 'fuzzy'atoms, ie, such divisions of the three-dimensional
physical space into atomic regions in which the regions assigned to the individual atoms
have no sharp boundaries but exhibit a continuous transition from one to another. The
results of test calculations are in agreement with the classical chemical notions, exhibit …