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Theorems concerning the properties of

Hoffmann-Ostenhof and Morgan (1981) were able to prove that the ground-state charge distribution of a one-electron homonuclear diatomic molecule can exhibit maxima in p only at the positions of the nuclei. In this proof an important inequality is used (Hoffmann-Ostenhof and Hoffman-Ostenhof 1977), [Pg.45]

An upper bound on the value of p(0) in an atom, given by Hoffmann-Ostenhof et al. (1978) is [Pg.45]

The long-range behaviour of p(r) for both atoms and.molecules has been discussed by a number of authors (Ahlrichs 1972 Hoffmann-Ostenhof and Hoffmann-Ostenhof 1977 Tal 1978 Katriel and Davidson 1980). The results [Pg.45]


See other pages where Theorems concerning the properties of is mentioned: [Pg.48]    [Pg.45]    [Pg.381]   


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