Received September 8, 1977
The relation between Pauling's ionicity and Phillips' ionicity is discussed by means of empirical LCAO band theory. Pauling's ionicity is well correlated to the total electron localizability including deep s -like valence state. Phillips' f i is correlated to the band-gap electron localizability. The reason why we have to use Pauling's ionicity to the calculation of χ (2) i j k is also discussed.
©1978 The Physical Society of Japan
https://sci-hub.tw/https://doi.org/10.1143/JPSJ.44.1204
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