Relation to ESCA

As will been seen later (VII-A), the internal shells of atoms are practically not involved in bond formation. Therefore, it is legitimate to speak of the works of extraction of the internal electrons of the various atoms forming a molecule  

A linear relationship has also been suggested between the ionization energy of an alkane and the maximum sum of the net charges of two adjacents atoms 

It is quite clear that the problem of finding a proper definition of atomic charges in a molecule goes together with the problem of exactly determining wave functions. The latter problem has already been mentioned in connection with the 

We shall not repeat these remarks in particular concerning the comparative 

We should, however, like to call attention to the fact that the various methods may lead to significant differences in the calculated atomic charges. The example of the charges of the alkanes is typical 72) However, it seems that use of a definition of charges based on Eq. (20), with factors X adapted to the basis, will sensibly lower the discrepemcies 

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