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On the electronic structure of polyatomic molecules

✍ Scribed by L. Scheire; P. Phariseau

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 209 KB
Volume: 26
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)85385-6

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✦ Synopsis

In this paper we extend the well-known MS Xa method for the calculation of the electronic structure of molecules enclosed in the Watson-sphere to the case of an arbitrarily shaped outer surface. A general formalism is discussed.

In r&ent years considerable progress has been made in calculating the electronic structure of molecules by use

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