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The self-consistent determination of the ion and neutral molecule wavefunctions in a theory of electron affinities and ionization potentials

✍ Scribed by Jack Simons

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 738 KB
Volume: 25
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80348-9

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✦ Synopsis

In this paper, we discuss the validity of our earlier derivation of a theory of molecular electron aftinities and ionization

potentials_ We show how one can improve upon our original derivation, which was not entirely consistent. by iteratively calculating both the ion and neutral molecule wavefunctions.

Most importantly, we demonstrate that the electron affinities and ionization potentials which are obtained by using our original theory are correct through third order, even though the derivation of this theory contains an inconsistency.

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